2-[7-(aminomethyl)-6-(2-chlorophenyl)benzimidazol-1-yl]ethanol

C16H16ClN3O — CID 11673852

IUPAC2-[7-(aminomethyl)-6-(2-chlorophenyl)benzimidazol-1-yl]ethanol
SMILESNCc1c(-c2ccccc2Cl)ccc2ncn(CCO)c12
InChIInChI=1S/C16H16ClN3O/c17-14-4-2-1-3-12(14)11-5-6-15-16(13(11)9-18)20(7-8-21)10-19-15/h1-6,10,21H,7-9,18H2
InChIKeyYJKAURSCBYQFJU-UHFFFAOYSA-N
MW301.78 g/mol
LogP2.81
Rot. Bonds4

About 2-[7-(aminomethyl)-6-(2-chlorophenyl)benzimidazol-1-yl]ethanol

2-[7-(aminomethyl)-6-(2-chlorophenyl)benzimidazol-1-yl]ethanol (PubChem CID 11673852) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 2-[7-(aminomethyl)-6-(2-chlorophenyl)benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[7-(aminomethyl)-6-(2-chlorophenyl)benzimidazol-1-yl]ethanol
PubChem CID11673852
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name2-[7-(aminomethyl)-6-(2-chlorophenyl)benzimidazol-1-yl]ethanol
SMILESNCc1c(-c2ccccc2Cl)ccc2ncn(CCO)c12
InChIInChI=1S/C16H16ClN3O/c17-14-4-2-1-3-12(14)11-5-6-15-16(13(11)9-18)20(7-8-21)10-19-15/h1-6,10,21H,7-9,18H2
InChIKeyYJKAURSCBYQFJU-UHFFFAOYSA-N
XLogP2.81
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(aminomethyl)-6-(2-chlorophenyl)benzimidazol-1-yl]ethanol?
The IUPAC name of 2-[7-(aminomethyl)-6-(2-chlorophenyl)benzimidazol-1-yl]ethanol (CID 11673852) is 2-[7-(aminomethyl)-6-(2-chlorophenyl)benzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[7-(aminomethyl)-6-(2-chlorophenyl)benzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[7-(aminomethyl)-6-(2-chlorophenyl)benzimidazol-1-yl]ethanol is NCc1c(-c2ccccc2Cl)ccc2ncn(CCO)c12.
What is the InChIKey of 2-[7-(aminomethyl)-6-(2-chlorophenyl)benzimidazol-1-yl]ethanol?
The InChIKey is YJKAURSCBYQFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c17-14-4-2-1-3-12(14)11-5-6-15-16(13(11)9-18)20(7-8-21)10-19-15/h1-6,10,21H,7-9,18H2.
What are the key properties of 2-[7-(aminomethyl)-6-(2-chlorophenyl)benzimidazol-1-yl]ethanol?
2-[7-(aminomethyl)-6-(2-chlorophenyl)benzimidazol-1-yl]ethanol has a molecular weight of 301.78 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(aminomethyl)-6-(2-chlorophenyl)benzimidazol-1-yl]ethanol is sourced from PubChem (CID 11673852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).