Chemical ID: 3965663

CN1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4ccc5c(c4)[nH]c(n5)c6ccc(cc6)O
Chemical ID:
3965663
Name [?]:
4-[5-[5-(4-methylpiperazin-1-yl)-3H-benzoimidazol-2-yl]-3H-benzoimidazol-2-yl]phenol
SMILES [?]:
CN1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4ccc5c(c4)[nH]c(n5)c6ccc(cc6)O
InChi [?]:
InChI=1/C25H24N6O/c1-30-10-12-31(13-11-30)18-5-9-21-23(15-18)29-25(27-21)17-4-8-20-22(14-17)28-24(26-20)16-2-6-19(32)7-3-16/h2-9,14-15,32H,10-13H2,1H3,(H,26,28)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,27,31,18,9,28,30,19,10,3,7,4,6,22,13,26,17,8,29,20,11,21,12,24,15,25,16,23,14,2,5,32/E:(2,3)(6,7)(10,11)(12,13)/rA:32nCNCCNCCCCCCCCNCNCCCCCCNCNCCCCCCO/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s10;d11;d8s12;s12;s14;s11d15;s15;s17;d18;s19;d20;d17s21;s21;s23;s20d24;s24;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H24N6O
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:12.3765
Area:655.838
Solvation:-4.01949
Coulombic:-61.3886
Bond Count [?]
All:37
Single:26
Double:11
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:424.498
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.96
LogP (Chemaxon):5.11

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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