(6-bromo-4-methyl-1H-benzimidazol-2-yl)-phenylmethanol

C15H13BrN2O — CID 104574600

IUPAC(6-bromo-4-methyl-1H-benzimidazol-2-yl)-phenylmethanol
SMILESCc1cc(Br)cc2[nH]c(C(O)c3ccccc3)nc12
InChIInChI=1S/C15H13BrN2O/c1-9-7-11(16)8-12-13(9)18-15(17-12)14(19)10-5-3-2-4-6-10/h2-8,14,19H,1H3,(H,17,18)
InChIKeyWUGURAWFEMLVEY-UHFFFAOYSA-N
MW317.19 g/mol
LogP3.72
Rot. Bonds2

About (6-bromo-4-methyl-1H-benzimidazol-2-yl)-phenylmethanol

(6-bromo-4-methyl-1H-benzimidazol-2-yl)-phenylmethanol (PubChem CID 104574600) has the molecular formula C15H13BrN2O and a molecular weight of 317.19 g/mol. Its IUPAC name is (6-bromo-4-methyl-1H-benzimidazol-2-yl)-phenylmethanol.

Molecular Properties

Compound Name(6-bromo-4-methyl-1H-benzimidazol-2-yl)-phenylmethanol
PubChem CID104574600
Molecular FormulaC15H13BrN2O
Molecular Weight317.19 g/mol
Exact Mass316.02
IUPAC Name(6-bromo-4-methyl-1H-benzimidazol-2-yl)-phenylmethanol
SMILESCc1cc(Br)cc2[nH]c(C(O)c3ccccc3)nc12
InChIInChI=1S/C15H13BrN2O/c1-9-7-11(16)8-12-13(9)18-15(17-12)14(19)10-5-3-2-4-6-10/h2-8,14,19H,1H3,(H,17,18)
InChIKeyWUGURAWFEMLVEY-UHFFFAOYSA-N
XLogP3.72
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-bromo-4-methyl-1H-benzimidazol-2-yl)-phenylmethanol?
The IUPAC name of (6-bromo-4-methyl-1H-benzimidazol-2-yl)-phenylmethanol (CID 104574600) is (6-bromo-4-methyl-1H-benzimidazol-2-yl)-phenylmethanol.
What is the SMILES notation for (6-bromo-4-methyl-1H-benzimidazol-2-yl)-phenylmethanol?
The canonical SMILES for (6-bromo-4-methyl-1H-benzimidazol-2-yl)-phenylmethanol is Cc1cc(Br)cc2[nH]c(C(O)c3ccccc3)nc12.
What is the InChIKey of (6-bromo-4-methyl-1H-benzimidazol-2-yl)-phenylmethanol?
The InChIKey is WUGURAWFEMLVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O/c1-9-7-11(16)8-12-13(9)18-15(17-12)14(19)10-5-3-2-4-6-10/h2-8,14,19H,1H3,(H,17,18).
What are the key properties of (6-bromo-4-methyl-1H-benzimidazol-2-yl)-phenylmethanol?
(6-bromo-4-methyl-1H-benzimidazol-2-yl)-phenylmethanol has a molecular weight of 317.19 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-4-methyl-1H-benzimidazol-2-yl)-phenylmethanol is sourced from PubChem (CID 104574600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).