6-bromo-2-[methoxy(phenyl)methyl]-4-methyl-1H-benzimidazole

C16H15BrN2O — CID 104574511

IUPAC6-bromo-2-[methoxy(phenyl)methyl]-4-methyl-1H-benzimidazole
SMILESCOC(c1ccccc1)c1nc2c(C)cc(Br)cc2[nH]1
InChIInChI=1S/C16H15BrN2O/c1-10-8-12(17)9-13-14(10)19-16(18-13)15(20-2)11-6-4-3-5-7-11/h3-9,15H,1-2H3,(H,18,19)
InChIKeyJFIWQYVNNLHLSV-UHFFFAOYSA-N
MW331.21 g/mol
LogP4.37
Rot. Bonds3

About 6-bromo-2-[methoxy(phenyl)methyl]-4-methyl-1H-benzimidazole

6-bromo-2-[methoxy(phenyl)methyl]-4-methyl-1H-benzimidazole (PubChem CID 104574511) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is 6-bromo-2-[methoxy(phenyl)methyl]-4-methyl-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-2-[methoxy(phenyl)methyl]-4-methyl-1H-benzimidazole
PubChem CID104574511
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name6-bromo-2-[methoxy(phenyl)methyl]-4-methyl-1H-benzimidazole
SMILESCOC(c1ccccc1)c1nc2c(C)cc(Br)cc2[nH]1
InChIInChI=1S/C16H15BrN2O/c1-10-8-12(17)9-13-14(10)19-16(18-13)15(20-2)11-6-4-3-5-7-11/h3-9,15H,1-2H3,(H,18,19)
InChIKeyJFIWQYVNNLHLSV-UHFFFAOYSA-N
XLogP4.37
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6-bromo-4-methyl-1H-benzimidazol-2-yl)-phenylmethanol
CID 104574600
6-bromo-2-(difluoromethyl)-4-methyl-1H-benzimidazole
CID 112706374
4-fluoro-2-[methoxy(phenyl)methyl]-1H-benzimidazole
CID 64724565
1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-3-methoxypropan-1-amine
CID 113428408
[2-[methoxy(phenyl)methyl]-1H-benzimidazol-4-yl]methanamine
CID 104721312
1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)propan-1-amine
CID 104574043
2-[methoxy(phenyl)methyl]-1H-imidazo[4,5-b]pyridine
CID 62098401
2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)butan-1-amine
CID 104574111
(6-bromo-4-methyl-1H-benzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine
CID 104574201
6-bromo-4-methyl-2-naphthalen-2-yl-1H-benzimidazole
CID 104574503
6-bromo-2-(3,4-dimethoxyphenyl)-4-methyl-1H-benzimidazole
CID 104574626
2-[methoxy(phenyl)methyl]-4-propan-2-yl-1H-pyrimidin-6-one
CID 136963638

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[methoxy(phenyl)methyl]-4-methyl-1H-benzimidazole?
The IUPAC name of 6-bromo-2-[methoxy(phenyl)methyl]-4-methyl-1H-benzimidazole (CID 104574511) is 6-bromo-2-[methoxy(phenyl)methyl]-4-methyl-1H-benzimidazole.
What is the SMILES notation for 6-bromo-2-[methoxy(phenyl)methyl]-4-methyl-1H-benzimidazole?
The canonical SMILES for 6-bromo-2-[methoxy(phenyl)methyl]-4-methyl-1H-benzimidazole is COC(c1ccccc1)c1nc2c(C)cc(Br)cc2[nH]1.
What is the InChIKey of 6-bromo-2-[methoxy(phenyl)methyl]-4-methyl-1H-benzimidazole?
The InChIKey is JFIWQYVNNLHLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c1-10-8-12(17)9-13-14(10)19-16(18-13)15(20-2)11-6-4-3-5-7-11/h3-9,15H,1-2H3,(H,18,19).
What are the key properties of 6-bromo-2-[methoxy(phenyl)methyl]-4-methyl-1H-benzimidazole?
6-bromo-2-[methoxy(phenyl)methyl]-4-methyl-1H-benzimidazole has a molecular weight of 331.21 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[methoxy(phenyl)methyl]-4-methyl-1H-benzimidazole is sourced from PubChem (CID 104574511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).