2-(1H-benzimidazol-2-yl)-1-(2-chlorophenyl)ethanol

C15H13ClN2O — CID 3243496

IUPAC2-(1H-benzimidazol-2-yl)-1-(2-chlorophenyl)ethanol
SMILESOC(Cc1nc2ccccc2[nH]1)c1ccccc1Cl
InChIInChI=1S/C15H13ClN2O/c16-11-6-2-1-5-10(11)14(19)9-15-17-12-7-3-4-8-13(12)18-15/h1-8,14,19H,9H2,(H,17,18)
InChIKeyMQMVHGUQDXETRJ-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.49
Rot. Bonds3

About 2-(1H-benzimidazol-2-yl)-1-(2-chlorophenyl)ethanol

2-(1H-benzimidazol-2-yl)-1-(2-chlorophenyl)ethanol (PubChem CID 3243496) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-1-(2-chlorophenyl)ethanol.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-1-(2-chlorophenyl)ethanol
PubChem CID3243496
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name2-(1H-benzimidazol-2-yl)-1-(2-chlorophenyl)ethanol
SMILESOC(Cc1nc2ccccc2[nH]1)c1ccccc1Cl
InChIInChI=1S/C15H13ClN2O/c16-11-6-2-1-5-10(11)14(19)9-15-17-12-7-3-4-8-13(12)18-15/h1-8,14,19H,9H2,(H,17,18)
InChIKeyMQMVHGUQDXETRJ-UHFFFAOYSA-N
XLogP3.49
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-1-(2-chlorophenyl)ethanol?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-1-(2-chlorophenyl)ethanol (CID 3243496) is 2-(1H-benzimidazol-2-yl)-1-(2-chlorophenyl)ethanol.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-1-(2-chlorophenyl)ethanol?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-1-(2-chlorophenyl)ethanol is OC(Cc1nc2ccccc2[nH]1)c1ccccc1Cl.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-1-(2-chlorophenyl)ethanol?
The InChIKey is MQMVHGUQDXETRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c16-11-6-2-1-5-10(11)14(19)9-15-17-12-7-3-4-8-13(12)18-15/h1-8,14,19H,9H2,(H,17,18).
What are the key properties of 2-(1H-benzimidazol-2-yl)-1-(2-chlorophenyl)ethanol?
2-(1H-benzimidazol-2-yl)-1-(2-chlorophenyl)ethanol has a molecular weight of 272.74 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-1-(2-chlorophenyl)ethanol is sourced from PubChem (CID 3243496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).