5,6-dichloro-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole

C14H9Cl3N2O — CID 82004397

IUPAC5,6-dichloro-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole
SMILESCOc1ccc(Cl)cc1-c1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C14H9Cl3N2O/c1-20-13-3-2-7(15)4-8(13)14-18-11-5-9(16)10(17)6-12(11)19-14/h2-6H,1H3,(H,18,19)
InChIKeyLHPFCHVYQVNAAA-UHFFFAOYSA-N
MW327.60 g/mol
LogP5.20
Rot. Bonds2

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

5,6-dichloro-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole (PubChem CID 82004397) has the molecular formula C14H9Cl3N2O and a molecular weight of 327.60 g/mol. Its IUPAC name is 5,6-dichloro-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dichloro-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole
PubChem CID82004397
Molecular FormulaC14H9Cl3N2O
Molecular Weight327.60 g/mol
Exact Mass325.98
IUPAC Name5,6-dichloro-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole
SMILESCOc1ccc(Cl)cc1-c1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C14H9Cl3N2O/c1-20-13-3-2-7(15)4-8(13)14-18-11-5-9(16)10(17)6-12(11)19-14/h2-6H,1H3,(H,18,19)
InChIKeyLHPFCHVYQVNAAA-UHFFFAOYSA-N
XLogP5.20
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.60
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dichlorophenyl)-5,6-dimethoxy-1H-benzimidazole
CID 63399348
6-bromo-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole
CID 64722322
6-chloro-2-(2,5-dimethoxyphenyl)-1H-benzimidazole
CID 60646512
2-(2-bromo-3,4-dimethoxyphenyl)-5,6-dichloro-1H-benzimidazole
CID 110532332
2-(5-chloro-2-methoxyphenyl)-5-methyl-1H-imidazo[4,5-b]pyridine
CID 81137085
2-(2,5-dichlorophenyl)-5,6-dimethyl-1H-benzimidazole
CID 55185574
2-(5-bromo-2,3-dimethoxyphenyl)-5,6-dichloro-1H-benzimidazole
CID 110532330
5,6-dichloro-2-(2-fluoro-5-methylphenyl)-1H-benzimidazole
CID 82003782
2-(2,5-dimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole
CID 62337492
2-(5-chloro-2-methylphenyl)-5,6-difluoro-1H-benzimidazole
CID 82883776
4-chloro-2-(5-chloro-6-methyl-1H-benzimidazol-2-yl)aniline
CID 95909583
5,6-dichloro-2-(2,4-difluorophenyl)-1H-benzimidazole
CID 78912108

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole?
The IUPAC name of 5,6-dichloro-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole (CID 82004397) is 5,6-dichloro-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole.
What is the SMILES notation for 5,6-dichloro-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole?
The canonical SMILES for 5,6-dichloro-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole is COc1ccc(Cl)cc1-c1nc2cc(Cl)c(Cl)cc2[nH]1.
What is the InChIKey of 5,6-dichloro-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole?
The InChIKey is LHPFCHVYQVNAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3N2O/c1-20-13-3-2-7(15)4-8(13)14-18-11-5-9(16)10(17)6-12(11)19-14/h2-6H,1H3,(H,18,19).
What are the key properties of 5,6-dichloro-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole?
5,6-dichloro-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole has a molecular weight of 327.60 g/mol, XLogP of 5.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole is sourced from PubChem (CID 82004397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).