6-chloro-2-(2,5-dimethoxyphenyl)-1H-benzimidazole

C15H13ClN2O2 — CID 60646512

IUPAC6-chloro-2-(2,5-dimethoxyphenyl)-1H-benzimidazole
SMILESCOc1ccc(OC)c(-c2nc3ccc(Cl)cc3[nH]2)c1
InChIInChI=1S/C15H13ClN2O2/c1-19-10-4-6-14(20-2)11(8-10)15-17-12-5-3-9(16)7-13(12)18-15/h3-8H,1-2H3,(H,17,18)
InChIKeyJJJMASRPZJMWDC-UHFFFAOYSA-N
MW288.73 g/mol
LogP3.90
Rot. Bonds3

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

6-chloro-2-(2,5-dimethoxyphenyl)-1H-benzimidazole (PubChem CID 60646512) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 6-chloro-2-(2,5-dimethoxyphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(2,5-dimethoxyphenyl)-1H-benzimidazole
PubChem CID60646512
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name6-chloro-2-(2,5-dimethoxyphenyl)-1H-benzimidazole
SMILESCOc1ccc(OC)c(-c2nc3ccc(Cl)cc3[nH]2)c1
InChIInChI=1S/C15H13ClN2O2/c1-19-10-4-6-14(20-2)11(8-10)15-17-12-5-3-9(16)7-13(12)18-15/h3-8H,1-2H3,(H,17,18)
InChIKeyJJJMASRPZJMWDC-UHFFFAOYSA-N
XLogP3.90
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole
CID 64722322
2-(2,5-dimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole
CID 62337492
2-(4-chloro-2-fluorophenyl)-6-methoxy-1H-benzimidazole
CID 65018051
5,6-dichloro-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole
CID 82004397
4-chloro-2-(6-methoxy-1H-benzimidazol-2-yl)phenol
CID 135905264
2-(2,5-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 26370448
2-(2,5-dimethoxyphenyl)-6-nitro-1H-benzimidazole
CID 110538644
6-bromo-2-(2-bromo-5-methoxyphenyl)-1H-benzimidazole
CID 64724147
2-(2,5-dichlorophenyl)-5,6-dimethoxy-1H-benzimidazole
CID 63399348
2-(2-fluorophenyl)-6-methoxy-1H-benzimidazole
CID 65017607
6-bromo-2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole
CID 102883699
6-chloro-2-(2,4-dichlorophenyl)-1H-benzimidazole
CID 60646513

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2,5-dimethoxyphenyl)-1H-benzimidazole?
The IUPAC name of 6-chloro-2-(2,5-dimethoxyphenyl)-1H-benzimidazole (CID 60646512) is 6-chloro-2-(2,5-dimethoxyphenyl)-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-(2,5-dimethoxyphenyl)-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-(2,5-dimethoxyphenyl)-1H-benzimidazole is COc1ccc(OC)c(-c2nc3ccc(Cl)cc3[nH]2)c1.
What is the InChIKey of 6-chloro-2-(2,5-dimethoxyphenyl)-1H-benzimidazole?
The InChIKey is JJJMASRPZJMWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c1-19-10-4-6-14(20-2)11(8-10)15-17-12-5-3-9(16)7-13(12)18-15/h3-8H,1-2H3,(H,17,18).
What are the key properties of 6-chloro-2-(2,5-dimethoxyphenyl)-1H-benzimidazole?
6-chloro-2-(2,5-dimethoxyphenyl)-1H-benzimidazole has a molecular weight of 288.73 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2,5-dimethoxyphenyl)-1H-benzimidazole is sourced from PubChem (CID 60646512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).