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

C15H14ClN3 — CID 96668272

IUPAC2-[1-(2-chlorophenyl)benzimidazol-2-yl]ethanamine
SMILESNCCc1nc2ccccc2n1-c1ccccc1Cl
InChIInChI=1S/C15H14ClN3/c16-11-5-1-3-7-13(11)19-14-8-4-2-6-12(14)18-15(19)9-10-17/h1-8H,9-10,17H2
InChIKeyFZMHOQRNSZZNJL-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.18
Rot. Bonds3

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

2-[1-(2-chlorophenyl)benzimidazol-2-yl]ethanamine (PubChem CID 96668272) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)benzimidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)benzimidazol-2-yl]ethanamine
PubChem CID96668272
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC Name2-[1-(2-chlorophenyl)benzimidazol-2-yl]ethanamine
SMILESNCCc1nc2ccccc2n1-c1ccccc1Cl
InChIInChI=1S/C15H14ClN3/c16-11-5-1-3-7-13(11)19-14-8-4-2-6-12(14)18-15(19)9-10-17/h1-8H,9-10,17H2
InChIKeyFZMHOQRNSZZNJL-UHFFFAOYSA-N
XLogP3.18
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloroethyl)-1-(2,5-dichlorophenyl)benzimidazole
CID 43666804
2-[1-(5-chloropyrimidin-4-yl)benzimidazol-2-yl]ethanamine
CID 105370562
2-[1-(3,5-dichloro-2-pyridinyl)benzimidazol-2-yl]ethanamine
CID 63637547
2-[1-(2,5-dimethylphenyl)benzimidazol-2-yl]ethanamine
CID 82486748
2-(2-chloroethyl)-1-(2-fluorophenyl)benzimidazole
CID 43666914
1-(2-chlorophenyl)-2-iodobenzimidazole
CID 135367836
2-(2-chloroethyl)-1-(2-chlorophenyl)imidazo[4,5-c]pyridine
CID 79292435
2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 45075160
2-[1-(5-iodopyrimidin-4-yl)benzimidazol-2-yl]ethanamine
CID 66320697
2-(chloromethyl)-1-(2-iodophenyl)benzimidazole
CID 29075912
5-chloro-2-(2-chloroethyl)-1-(3-chloro-2-fluorophenyl)benzimidazole
CID 43667243
2-[1-(pyrimidin-2-ylmethyl)benzimidazol-2-yl]ethanamine
CID 55244547

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)benzimidazol-2-yl]ethanamine?
The IUPAC name of 2-[1-(2-chlorophenyl)benzimidazol-2-yl]ethanamine (CID 96668272) is 2-[1-(2-chlorophenyl)benzimidazol-2-yl]ethanamine.
What is the SMILES notation for 2-[1-(2-chlorophenyl)benzimidazol-2-yl]ethanamine?
The canonical SMILES for 2-[1-(2-chlorophenyl)benzimidazol-2-yl]ethanamine is NCCc1nc2ccccc2n1-c1ccccc1Cl.
What is the InChIKey of 2-[1-(2-chlorophenyl)benzimidazol-2-yl]ethanamine?
The InChIKey is FZMHOQRNSZZNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3/c16-11-5-1-3-7-13(11)19-14-8-4-2-6-12(14)18-15(19)9-10-17/h1-8H,9-10,17H2.
What are the key properties of 2-[1-(2-chlorophenyl)benzimidazol-2-yl]ethanamine?
2-[1-(2-chlorophenyl)benzimidazol-2-yl]ethanamine has a molecular weight of 271.75 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)benzimidazol-2-yl]ethanamine is sourced from PubChem (CID 96668272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).