1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenamine

C15H12ClN3 — CID 164968478

IUPAC1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenamine
SMILESC=C(N)c1ccc2c(c1)ncn2-c1cccc(Cl)c1
InChIInChI=1S/C15H12ClN3/c1-10(17)11-5-6-15-14(7-11)18-9-19(15)13-4-2-3-12(16)8-13/h2-9H,1,17H2
InChIKeyMYPFKRJSSWYKLY-UHFFFAOYSA-N
MW269.74 g/mol
LogP3.61
Rot. Bonds2

About 1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenamine

1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenamine (PubChem CID 164968478) has the molecular formula C15H12ClN3 and a molecular weight of 269.74 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenamine.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenamine
PubChem CID164968478
Molecular FormulaC15H12ClN3
Molecular Weight269.74 g/mol
Exact Mass269.07
IUPAC Name1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenamine
SMILESC=C(N)c1ccc2c(c1)ncn2-c1cccc(Cl)c1
InChIInChI=1S/C15H12ClN3/c1-10(17)11-5-6-15-14(7-11)18-9-19(15)13-4-2-3-12(16)8-13/h2-9H,1,17H2
InChIKeyMYPFKRJSSWYKLY-UHFFFAOYSA-N
XLogP3.61
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenamine?
The IUPAC name of 1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenamine (CID 164968478) is 1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenamine.
What is the SMILES notation for 1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenamine?
The canonical SMILES for 1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenamine is C=C(N)c1ccc2c(c1)ncn2-c1cccc(Cl)c1.
What is the InChIKey of 1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenamine?
The InChIKey is MYPFKRJSSWYKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3/c1-10(17)11-5-6-15-14(7-11)18-9-19(15)13-4-2-3-12(16)8-13/h2-9H,1,17H2.
What are the key properties of 1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenamine?
1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenamine has a molecular weight of 269.74 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenamine is sourced from PubChem (CID 164968478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).