Chemical ID: 4673157

CCN(CC)CCn1c2ccccc2n(c1=N)CC(=O)c3ccc4ccccc4c3
Chemical ID:
4673157
Name [?]:
2-[3-(2-diethylaminoethyl)-2-imino-benzoimidazol-1-yl]-1-(2-naphthyl)ethanone
SMILES [?]:
CCN(CC)CCn1c2ccccc2n(c1=N)CC(=O)c3ccc4ccccc4c3
InChi [?]:
InChI=1/C25H28N4O/c1-3-27(4-2)15-16-28-22-11-7-8-12-23(22)29(25(28)26)18-24(30)21-14-13-19-9-5-6-10-20(19)17-21/h5-14,17,26H,3-4,15-16,18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,26,27,11,12,25,28,10,13,23,22,6,7,30,18,24,29,21,9,14,19,16,17,3,8,15,20/E:(1,2)(3,4)/rA:30nCCNCCCCNCCCCCCNCNCCOCCCCCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;s8s15;w16;s15;s18;d19;s19;s21;d22;s23;s24;d25;s26;d27;d24s28;d21s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H28N4O
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.0864
Area:650.528
Solvation:-4.17678
Coulombic:-40.0791
Bond Count [?]
All:33
Single:23
Double:10
Rotors:8
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:400.516
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.04
LogP (Chemaxon):5.44

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Descriptor Annotations

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