6-chloro-2-[(2-methylphenoxy)methyl]-1H-benzimidazole

C15H13ClN2O — CID 26820083

IUPAC6-chloro-2-[(2-methylphenoxy)methyl]-1H-benzimidazole
SMILESCc1ccccc1OCc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C15H13ClN2O/c1-10-4-2-3-5-14(10)19-9-15-17-12-7-6-11(16)8-13(12)18-15/h2-8H,9H2,1H3,(H,17,18)
InChIKeyKQJYQJQQXHEVDE-UHFFFAOYSA-N
MW272.74 g/mol
LogP4.10
Rot. Bonds3

About 6-chloro-2-[(2-methylphenoxy)methyl]-1H-benzimidazole

6-chloro-2-[(2-methylphenoxy)methyl]-1H-benzimidazole (PubChem CID 26820083) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 6-chloro-2-[(2-methylphenoxy)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-[(2-methylphenoxy)methyl]-1H-benzimidazole
PubChem CID26820083
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name6-chloro-2-[(2-methylphenoxy)methyl]-1H-benzimidazole
SMILESCc1ccccc1OCc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C15H13ClN2O/c1-10-4-2-3-5-14(10)19-9-15-17-12-7-6-11(16)8-13(12)18-15/h2-8H,9H2,1H3,(H,17,18)
InChIKeyKQJYQJQQXHEVDE-UHFFFAOYSA-N
XLogP4.10
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-chloro-2-[(2-methylphenoxy)methyl]-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-chloronaphthalen-1-yl)oxymethyl]-6-methyl-1H-benzimidazole
CID 139950745
2-[(2,4-dichlorophenoxy)methyl]-3H-benzimidazole-5-carboxylic acid
CID 24812205
6-fluoro-2-[(2-methoxyphenoxy)methyl]-1H-benzimidazole
CID 71296316
4-[(6-chloro-1H-benzimidazol-2-yl)methoxy]-3-[(4-methylphenyl)methoxy]benzoic acid
CID 59886987
6-chloro-2-[[3-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole
CID 2112207
6-chloro-2-[(3,4-dichlorophenyl)methyl]-1H-benzimidazole
CID 60648883
6-chloro-2-[6-(6-chloro-1H-benzimidazol-2-yl)hexyl]-1H-benzimidazole
CID 23276808
6-bromo-2-[(2-propan-2-ylphenoxy)methyl]-1H-benzimidazole
CID 50754096
6-ethoxy-2-[(2-propan-2-ylphenoxy)methyl]-1H-benzimidazole
CID 27408358
6-chloro-2-[(2-fluorophenyl)methyl]-1H-benzimidazole
CID 60648959
5-chloro-3-[(2-methylphenoxy)methyl]-1H-indole
CID 117175045
2-[(4-chloro-3,5-dimethylphenoxy)methyl]-6-ethyl-1H-benzimidazole
CID 50754084

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(2-methylphenoxy)methyl]-1H-benzimidazole?
The IUPAC name of 6-chloro-2-[(2-methylphenoxy)methyl]-1H-benzimidazole (CID 26820083) is 6-chloro-2-[(2-methylphenoxy)methyl]-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-[(2-methylphenoxy)methyl]-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-[(2-methylphenoxy)methyl]-1H-benzimidazole is Cc1ccccc1OCc1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 6-chloro-2-[(2-methylphenoxy)methyl]-1H-benzimidazole?
The InChIKey is KQJYQJQQXHEVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-10-4-2-3-5-14(10)19-9-15-17-12-7-6-11(16)8-13(12)18-15/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 6-chloro-2-[(2-methylphenoxy)methyl]-1H-benzimidazole?
6-chloro-2-[(2-methylphenoxy)methyl]-1H-benzimidazole has a molecular weight of 272.74 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(2-methylphenoxy)methyl]-1H-benzimidazole is sourced from PubChem (CID 26820083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).