4-chloro-1-(1-phenylethyl)benzimidazol-2-amine

C15H14ClN3 — CID 104836790

IUPAC4-chloro-1-(1-phenylethyl)benzimidazol-2-amine
SMILESCC(c1ccccc1)n1c(N)nc2c(Cl)cccc21
InChIInChI=1S/C15H14ClN3/c1-10(11-6-3-2-4-7-11)19-13-9-5-8-12(16)14(13)18-15(19)17/h2-10H,1H3,(H2,17,18)
InChIKeyJLGMQOUOTLYWEL-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.88
Rot. Bonds2

About 4-chloro-1-(1-phenylethyl)benzimidazol-2-amine

4-chloro-1-(1-phenylethyl)benzimidazol-2-amine (PubChem CID 104836790) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is 4-chloro-1-(1-phenylethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name4-chloro-1-(1-phenylethyl)benzimidazol-2-amine
PubChem CID104836790
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC Name4-chloro-1-(1-phenylethyl)benzimidazol-2-amine
SMILESCC(c1ccccc1)n1c(N)nc2c(Cl)cccc21
InChIInChI=1S/C15H14ClN3/c1-10(11-6-3-2-4-7-11)19-13-9-5-8-12(16)14(13)18-15(19)17/h2-10H,1H3,(H2,17,18)
InChIKeyJLGMQOUOTLYWEL-UHFFFAOYSA-N
XLogP3.88
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-(4-methylsulfanylbutan-2-yl)benzimidazol-2-amine
CID 113477819
4-chloro-1-(dicyclopropylmethyl)benzimidazol-2-amine
CID 113459022
4-chloro-1-octan-2-ylbenzimidazol-2-amine
CID 104836976
4-chloro-1-[1-(furan-2-yl)propan-2-yl]benzimidazol-2-amine
CID 104836966
5,6-dimethyl-1-(1-phenylethyl)benzimidazol-2-amine
CID 82359041
2-bromo-4-chloro-1-propan-2-ylbenzimidazole
CID 83845123
4-chloro-2-methyl-1-propan-2-ylbenzimidazole
CID 83449668
1-propan-2-ylbenzimidazole-2,4-diamine
CID 84771598
4-chloro-1-(1-cyclohexylpropyl)benzimidazol-2-amine
CID 104837082
4-chloro-1-(2-chloro-6-methylphenyl)benzimidazol-2-amine
CID 104837184
4-chloro-1-(7-methyloctyl)benzimidazol-2-amine
CID 107816942
5-methyl-3-(1-phenylethyl)imidazo[4,5-b]pyridin-2-amine
CID 81137999

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(1-phenylethyl)benzimidazol-2-amine?
The IUPAC name of 4-chloro-1-(1-phenylethyl)benzimidazol-2-amine (CID 104836790) is 4-chloro-1-(1-phenylethyl)benzimidazol-2-amine.
What is the SMILES notation for 4-chloro-1-(1-phenylethyl)benzimidazol-2-amine?
The canonical SMILES for 4-chloro-1-(1-phenylethyl)benzimidazol-2-amine is CC(c1ccccc1)n1c(N)nc2c(Cl)cccc21.
What is the InChIKey of 4-chloro-1-(1-phenylethyl)benzimidazol-2-amine?
The InChIKey is JLGMQOUOTLYWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3/c1-10(11-6-3-2-4-7-11)19-13-9-5-8-12(16)14(13)18-15(19)17/h2-10H,1H3,(H2,17,18).
What are the key properties of 4-chloro-1-(1-phenylethyl)benzimidazol-2-amine?
4-chloro-1-(1-phenylethyl)benzimidazol-2-amine has a molecular weight of 271.75 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(1-phenylethyl)benzimidazol-2-amine is sourced from PubChem (CID 104836790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).