1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethanamine

C16H16ClN3 — CID 82024681

IUPAC1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethanamine
SMILESCC(N)c1nc2ccccc2n1Cc1ccccc1Cl
InChIInChI=1S/C16H16ClN3/c1-11(18)16-19-14-8-4-5-9-15(14)20(16)10-12-6-2-3-7-13(12)17/h2-9,11H,10,18H2,1H3
InChIKeyBZFTVTWMEVLJBP-UHFFFAOYSA-N
MW285.78 g/mol
LogP3.76
Rot. Bonds3

About 1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethanamine

1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethanamine (PubChem CID 82024681) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is 1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethanamine
PubChem CID82024681
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC Name1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethanamine
SMILESCC(N)c1nc2ccccc2n1Cc1ccccc1Cl
InChIInChI=1S/C16H16ClN3/c1-11(18)16-19-14-8-4-5-9-15(14)20(16)10-12-6-2-3-7-13(12)17/h2-9,11H,10,18H2,1H3
InChIKeyBZFTVTWMEVLJBP-UHFFFAOYSA-N
XLogP3.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminoethyl)-5-chloro-3-[(2-chlorophenyl)methyl]quinazolin-4-one
CID 155000155
N-[(1R)-1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide
CID 7366614
6-chloro-2-(1-chloroethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 115470773
1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole
CID 709571
N-[1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 4754925
2-(chloromethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 29075827
(1R)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethanamine;hydrochloride
CID 133143576
(1S)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine
CID 54757557
N-[1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 4754932
N-[(1S)-1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100737
2-(2-chlorophenyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 3596016
1-[(2-chlorophenyl)methyl]-2-(methoxymethyl)benzimidazole
CID 962448

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethanamine?
The IUPAC name of 1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethanamine (CID 82024681) is 1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethanamine.
What is the SMILES notation for 1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethanamine?
The canonical SMILES for 1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethanamine is CC(N)c1nc2ccccc2n1Cc1ccccc1Cl.
What is the InChIKey of 1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethanamine?
The InChIKey is BZFTVTWMEVLJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3/c1-11(18)16-19-14-8-4-5-9-15(14)20(16)10-12-6-2-3-7-13(12)17/h2-9,11H,10,18H2,1H3.
What are the key properties of 1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethanamine?
1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethanamine has a molecular weight of 285.78 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethanamine is sourced from PubChem (CID 82024681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).