(R)-(6-bromo-1H-benzimidazol-2-yl)-(4-chlorophenyl)methanol

C14H10BrClN2O — CID 125481020

IUPAC(R)-(6-bromo-1H-benzimidazol-2-yl)-(4-chlorophenyl)methanol
SMILESO[C@H](c1ccc(Cl)cc1)c1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C14H10BrClN2O/c15-9-3-6-11-12(7-9)18-14(17-11)13(19)8-1-4-10(16)5-2-8/h1-7,13,19H,(H,17,18)/t13-/m1/s1
InChIKeyQCWXAXIKQAPSNI-CYBMUJFWSA-N
MW337.60 g/mol
LogP4.06
Rot. Bonds2

About (R)-(6-bromo-1H-benzimidazol-2-yl)-(4-chlorophenyl)methanol

(R)-(6-bromo-1H-benzimidazol-2-yl)-(4-chlorophenyl)methanol (PubChem CID 125481020) has the molecular formula C14H10BrClN2O and a molecular weight of 337.60 g/mol. Its IUPAC name is (R)-(6-bromo-1H-benzimidazol-2-yl)-(4-chlorophenyl)methanol.

Molecular Properties

Compound Name(R)-(6-bromo-1H-benzimidazol-2-yl)-(4-chlorophenyl)methanol
PubChem CID125481020
Molecular FormulaC14H10BrClN2O
Molecular Weight337.60 g/mol
Exact Mass335.97
IUPAC Name(R)-(6-bromo-1H-benzimidazol-2-yl)-(4-chlorophenyl)methanol
SMILESO[C@H](c1ccc(Cl)cc1)c1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C14H10BrClN2O/c15-9-3-6-11-12(7-9)18-14(17-11)13(19)8-1-4-10(16)5-2-8/h1-7,13,19H,(H,17,18)/t13-/m1/s1
InChIKeyQCWXAXIKQAPSNI-CYBMUJFWSA-N
XLogP4.06
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.60
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (R)-(6-bromo-1H-benzimidazol-2-yl)-(4-chlorophenyl)methanol?
The IUPAC name of (R)-(6-bromo-1H-benzimidazol-2-yl)-(4-chlorophenyl)methanol (CID 125481020) is (R)-(6-bromo-1H-benzimidazol-2-yl)-(4-chlorophenyl)methanol.
What is the SMILES notation for (R)-(6-bromo-1H-benzimidazol-2-yl)-(4-chlorophenyl)methanol?
The canonical SMILES for (R)-(6-bromo-1H-benzimidazol-2-yl)-(4-chlorophenyl)methanol is O[C@H](c1ccc(Cl)cc1)c1nc2ccc(Br)cc2[nH]1.
What is the InChIKey of (R)-(6-bromo-1H-benzimidazol-2-yl)-(4-chlorophenyl)methanol?
The InChIKey is QCWXAXIKQAPSNI-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H10BrClN2O/c15-9-3-6-11-12(7-9)18-14(17-11)13(19)8-1-4-10(16)5-2-8/h1-7,13,19H,(H,17,18)/t13-/m1/s1.
What are the key properties of (R)-(6-bromo-1H-benzimidazol-2-yl)-(4-chlorophenyl)methanol?
(R)-(6-bromo-1H-benzimidazol-2-yl)-(4-chlorophenyl)methanol has a molecular weight of 337.60 g/mol, XLogP of 4.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(6-bromo-1H-benzimidazol-2-yl)-(4-chlorophenyl)methanol is sourced from PubChem (CID 125481020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).