6-bromo-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole

C14H10BrClN2O — CID 64722322

IUPAC6-bromo-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole
SMILESCOc1ccc(Cl)cc1-c1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C14H10BrClN2O/c1-19-13-5-3-9(16)7-10(13)14-17-11-4-2-8(15)6-12(11)18-14/h2-7H,1H3,(H,17,18)
InChIKeyHQLYALSVLGCVNI-UHFFFAOYSA-N
MW337.60 g/mol
LogP4.65
Rot. Bonds2

About 6-bromo-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole

6-bromo-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole (PubChem CID 64722322) has the molecular formula C14H10BrClN2O and a molecular weight of 337.60 g/mol. Its IUPAC name is 6-bromo-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole
PubChem CID64722322
Molecular FormulaC14H10BrClN2O
Molecular Weight337.60 g/mol
Exact Mass335.97
IUPAC Name6-bromo-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole
SMILESCOc1ccc(Cl)cc1-c1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C14H10BrClN2O/c1-19-13-5-3-9(16)7-10(13)14-17-11-4-2-8(15)6-12(11)18-14/h2-7H,1H3,(H,17,18)
InChIKeyHQLYALSVLGCVNI-UHFFFAOYSA-N
XLogP4.65
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.60
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-2-(2,5-dimethoxyphenyl)-1H-benzimidazole
CID 60646512
5,6-dichloro-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole
CID 82004397
2-(5-bromo-2-methoxyphenyl)-3H-benzimidazol-5-amine
CID 83950843
4-(6-bromo-1H-benzimidazol-2-yl)-3-methoxyaniline
CID 107209077
2-(2,5-dichlorophenyl)-5,6-dimethoxy-1H-benzimidazole
CID 63399348
6-bromo-2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole
CID 102883699
2-(6-bromo-1H-benzimidazol-2-yl)-4,6-dichloroaniline
CID 54919605
6-bromo-2-(2-bromo-5-methoxyphenyl)-1H-benzimidazole
CID 64724147
6-bromo-2-(3-methoxy-4-methylphenyl)-1H-benzimidazole
CID 64723120
2-(5-chloro-2-methoxyphenyl)-5-methyl-1H-imidazo[4,5-b]pyridine
CID 81137085
6-bromo-2-(2-chlorophenyl)-1H-benzimidazole
CID 64723542
4-chloro-2-(6-methoxy-1H-benzimidazol-2-yl)phenol
CID 135905264

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole?
The IUPAC name of 6-bromo-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole (CID 64722322) is 6-bromo-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole.
What is the SMILES notation for 6-bromo-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole?
The canonical SMILES for 6-bromo-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole is COc1ccc(Cl)cc1-c1nc2ccc(Br)cc2[nH]1.
What is the InChIKey of 6-bromo-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole?
The InChIKey is HQLYALSVLGCVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2O/c1-19-13-5-3-9(16)7-10(13)14-17-11-4-2-8(15)6-12(11)18-14/h2-7H,1H3,(H,17,18).
What are the key properties of 6-bromo-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole?
6-bromo-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole has a molecular weight of 337.60 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole is sourced from PubChem (CID 64722322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).