Chemical ID: 4185588

c1ccc(c(c1)Cn2c3ccccc3nc2N)Cl
Chemical ID:
4185588
Name [?]:
1-[(2-chlorophenyl)methyl]benzoimidazol-2-amine
SMILES [?]:
c1ccc(c(c1)Cn2c3ccccc3nc2N)Cl
InChi [?]:
InChI=1/C14H12ClN3/c15-11-6-2-1-5-10(11)9-18-13-8-4-3-7-12(13)17-14(18)16/h1-8H,9H2,(H2,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,12,11,6,3,13,10,7,5,4,14,9,16,18,17,15,8/rA:18nCCCCCCCNCCCCCCNCNCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s11;d12;d9s13;s14;s8d15;s16;s4;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12ClN3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.47255
Area:405.276
Solvation:-1.65936
Coulombic:-31.652
Bond Count [?]
All:20
Single:13
Double:7
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:257.718
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:3.63
LogP (Chemaxon):4.21

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Descriptor Annotations

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