Chemical ID: 4305296

CCN(CC)CCn1c2ccccc2n(c1=N)CC(=O)c3ccccc3
Chemical ID:
4305296
Name [?]:
2-[3-(2-diethylaminoethyl)-2-imino-benzoimidazol-1-yl]-1-phenyl-ethanone
SMILES [?]:
CCN(CC)CCn1c2ccccc2n(c1=N)CC(=O)c3ccccc3
InChi [?]:
InChI=1/C21H26N4O/c1-3-23(4-2)14-15-24-18-12-8-9-13-19(18)25(21(24)22)16-20(26)17-10-6-5-7-11-17/h5-13,22H,3-4,14-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,24,23,25,11,12,22,26,10,13,6,7,18,21,9,14,19,16,17,3,8,15,20/E:(1,2)(3,4)(6,7)(10,11)/rA:26nCCNCCCCNCCCCCCNCNCCOCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;s8s15;w16;s15;s18;d19;s19;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H26N4O
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.8311
Area:590.065
Solvation:-3.9205
Coulombic:-39.5254
Bond Count [?]
All:28
Single:20
Double:8
Rotors:8
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:350.457
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.78
LogP (Chemaxon):4.44

Name Annotations

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Descriptor Annotations

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