1-[(2,5-dichlorophenyl)methyl]-6-methoxy-2-methylbenzimidazole

C16H14Cl2N2O — CID 90027577

IUPAC1-[(2,5-dichlorophenyl)methyl]-6-methoxy-2-methylbenzimidazole
SMILESCOc1ccc2nc(C)n(Cc3cc(Cl)ccc3Cl)c2c1
InChIInChI=1S/C16H14Cl2N2O/c1-10-19-15-6-4-13(21-2)8-16(15)20(10)9-11-7-12(17)3-5-14(11)18/h3-8H,9H2,1-2H3
InChIKeyREUHBNGYGOHNAX-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.71
Rot. Bonds3

About 1-[(2,5-dichlorophenyl)methyl]-6-methoxy-2-methylbenzimidazole

1-[(2,5-dichlorophenyl)methyl]-6-methoxy-2-methylbenzimidazole (PubChem CID 90027577) has the molecular formula C16H14Cl2N2O and a molecular weight of 321.21 g/mol. Its IUPAC name is 1-[(2,5-dichlorophenyl)methyl]-6-methoxy-2-methylbenzimidazole.

Molecular Properties

Compound Name1-[(2,5-dichlorophenyl)methyl]-6-methoxy-2-methylbenzimidazole
PubChem CID90027577
Molecular FormulaC16H14Cl2N2O
Molecular Weight321.21 g/mol
Exact Mass320.05
IUPAC Name1-[(2,5-dichlorophenyl)methyl]-6-methoxy-2-methylbenzimidazole
SMILESCOc1ccc2nc(C)n(Cc3cc(Cl)ccc3Cl)c2c1
InChIInChI=1S/C16H14Cl2N2O/c1-10-19-15-6-4-13(21-2)8-16(15)20(10)9-11-7-12(17)3-5-14(11)18/h3-8H,9H2,1-2H3
InChIKeyREUHBNGYGOHNAX-UHFFFAOYSA-N
XLogP4.71
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2,5-dichlorophenyl)methyl]-6-methoxy-2-methylbenzimidazole 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

1-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylbenzimidazole
CID 102879181
3-[(2,4-dichlorophenyl)methyl]-2-methylbenzimidazole-5-carboxamide
CID 18681118
5-[3-[(2,5-dichlorophenyl)methyl]-6-fluoro-2-methylbenzimidazol-5-yl]-1H-pyridin-2-one
CID 90034087
1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole
CID 709571
1-[(2-chlorophenyl)methyl]-2-methyl-6-propylsulfanylbenzimidazole
CID 134083749
1-[(4-chlorophenyl)methyl]-6-methoxy-2-(pyrrolidin-1-ylmethyl)benzimidazole
CID 66670689
1-[(2,5-dichlorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 116626515
6-chloro-2-methyl-1-prop-2-enylbenzimidazole
CID 134086168
1-benzyl-2-(2,6-difluorophenyl)-6-methoxybenzimidazole
CID 134083781
1-benzyl-6-methoxy-2-(2-phenylethyl)benzimidazole
CID 134083782
1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indole
CID 141206608
1-[(5-chloro-2-nitrophenyl)methyl]-2-methylbenzimidazole
CID 79751951

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dichlorophenyl)methyl]-6-methoxy-2-methylbenzimidazole?
The IUPAC name of 1-[(2,5-dichlorophenyl)methyl]-6-methoxy-2-methylbenzimidazole (CID 90027577) is 1-[(2,5-dichlorophenyl)methyl]-6-methoxy-2-methylbenzimidazole.
What is the SMILES notation for 1-[(2,5-dichlorophenyl)methyl]-6-methoxy-2-methylbenzimidazole?
The canonical SMILES for 1-[(2,5-dichlorophenyl)methyl]-6-methoxy-2-methylbenzimidazole is COc1ccc2nc(C)n(Cc3cc(Cl)ccc3Cl)c2c1.
What is the InChIKey of 1-[(2,5-dichlorophenyl)methyl]-6-methoxy-2-methylbenzimidazole?
The InChIKey is REUHBNGYGOHNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O/c1-10-19-15-6-4-13(21-2)8-16(15)20(10)9-11-7-12(17)3-5-14(11)18/h3-8H,9H2,1-2H3.
What are the key properties of 1-[(2,5-dichlorophenyl)methyl]-6-methoxy-2-methylbenzimidazole?
1-[(2,5-dichlorophenyl)methyl]-6-methoxy-2-methylbenzimidazole has a molecular weight of 321.21 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dichlorophenyl)methyl]-6-methoxy-2-methylbenzimidazole is sourced from PubChem (CID 90027577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).