1-[(2,6-dichlorophenyl)methyl]-2-(3-methoxyphenyl)benzimidazole

C21H16Cl2N2O — CID 17001690

IUPAC1-[(2,6-dichlorophenyl)methyl]-2-(3-methoxyphenyl)benzimidazole
SMILESCOc1cccc(-c2nc3ccccc3n2Cc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C21H16Cl2N2O/c1-26-15-7-4-6-14(12-15)21-24-19-10-2-3-11-20(19)25(21)13-16-17(22)8-5-9-18(16)23/h2-12H,13H2,1H3
InChIKeySFLXYZFORXINEB-UHFFFAOYSA-N
MW383.28 g/mol
LogP6.07
Rot. Bonds4

About 1-[(2,6-dichlorophenyl)methyl]-2-(3-methoxyphenyl)benzimidazole

1-[(2,6-dichlorophenyl)methyl]-2-(3-methoxyphenyl)benzimidazole (PubChem CID 17001690) has the molecular formula C21H16Cl2N2O and a molecular weight of 383.28 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-2-(3-methoxyphenyl)benzimidazole.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-2-(3-methoxyphenyl)benzimidazole
PubChem CID17001690
Molecular FormulaC21H16Cl2N2O
Molecular Weight383.28 g/mol
Exact Mass382.06
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-2-(3-methoxyphenyl)benzimidazole
SMILESCOc1cccc(-c2nc3ccccc3n2Cc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C21H16Cl2N2O/c1-26-15-7-4-6-14(12-15)21-24-19-10-2-3-11-20(19)25(21)13-16-17(22)8-5-9-18(16)23/h2-12H,13H2,1H3
InChIKeySFLXYZFORXINEB-UHFFFAOYSA-N
XLogP6.07
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.28
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,6-dichlorophenyl)methyl]-2-(4-methoxyphenyl)benzimidazole
CID 18879455
1-[(4-bromophenyl)methyl]-2-(3-methoxyphenyl)benzimidazole
CID 17001698
1-butyl-2-(3-methoxyphenyl)benzimidazole
CID 17001670
2-(3-methoxyphenyl)-1-pentylbenzimidazole
CID 17001673
1-[(4-chlorophenyl)methyl]-2-(3,5-dimethoxyphenyl)benzimidazole
CID 20930586
3-[2-(3-methoxyphenyl)benzimidazol-1-yl]propanethioamide
CID 94756511
1-[2-(2,6-dimethylphenoxy)ethyl]-2-(3-methoxyphenyl)benzimidazole
CID 17001717
2-(3,5-dimethoxyphenyl)-1-[(4-methylphenyl)methyl]benzimidazole
CID 20930584
1-(4-chlorophenyl)-2-(3-methoxyphenyl)benzimidazole
CID 134816857
2-(3-methoxyphenyl)-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 17001765
2-(3-methoxyphenyl)-1-[4-(2-methylphenoxy)butyl]benzimidazole
CID 17001768
N,N-diethyl-2-[2-(3-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17001793

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-2-(3-methoxyphenyl)benzimidazole?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-2-(3-methoxyphenyl)benzimidazole (CID 17001690) is 1-[(2,6-dichlorophenyl)methyl]-2-(3-methoxyphenyl)benzimidazole.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-2-(3-methoxyphenyl)benzimidazole?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-2-(3-methoxyphenyl)benzimidazole is COc1cccc(-c2nc3ccccc3n2Cc2c(Cl)cccc2Cl)c1.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-2-(3-methoxyphenyl)benzimidazole?
The InChIKey is SFLXYZFORXINEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2O/c1-26-15-7-4-6-14(12-15)21-24-19-10-2-3-11-20(19)25(21)13-16-17(22)8-5-9-18(16)23/h2-12H,13H2,1H3.
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-2-(3-methoxyphenyl)benzimidazole?
1-[(2,6-dichlorophenyl)methyl]-2-(3-methoxyphenyl)benzimidazole has a molecular weight of 383.28 g/mol, XLogP of 6.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-2-(3-methoxyphenyl)benzimidazole is sourced from PubChem (CID 17001690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).