2-(3,4-dimethylphenyl)-6-methoxy-1-phenylbenzimidazole

C22H20N2O — CID 19354019

IUPAC2-(3,4-dimethylphenyl)-6-methoxy-1-phenylbenzimidazole
SMILESCOc1ccc2nc(-c3ccc(C)c(C)c3)n(-c3ccccc3)c2c1
InChIInChI=1S/C22H20N2O/c1-15-9-10-17(13-16(15)2)22-23-20-12-11-19(25-3)14-21(20)24(22)18-7-5-4-6-8-18/h4-14H,1-3H3
InChIKeyAMEZPTYLCHBGMW-UHFFFAOYSA-N
MW328.42 g/mol
LogP5.32
Rot. Bonds3

About 2-(3,4-dimethylphenyl)-6-methoxy-1-phenylbenzimidazole

2-(3,4-dimethylphenyl)-6-methoxy-1-phenylbenzimidazole (PubChem CID 19354019) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-6-methoxy-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-6-methoxy-1-phenylbenzimidazole
PubChem CID19354019
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name2-(3,4-dimethylphenyl)-6-methoxy-1-phenylbenzimidazole
SMILESCOc1ccc2nc(-c3ccc(C)c(C)c3)n(-c3ccccc3)c2c1
InChIInChI=1S/C22H20N2O/c1-15-9-10-17(13-16(15)2)22-23-20-12-11-19(25-3)14-21(20)24(22)18-7-5-4-6-8-18/h4-14H,1-3H3
InChIKeyAMEZPTYLCHBGMW-UHFFFAOYSA-N
XLogP5.32
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.42
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethoxyphenyl)-1-phenylbenzimidazole
CID 86118323
6-methoxy-2-methyl-1-(4-methylphenyl)benzimidazole
CID 155921327
methyl 2-(2,3-diphenylbenzimidazol-5-yl)oxypropanoate
CID 10270610
1-(4-fluorophenyl)-2-(4-methoxyphenyl)benzimidazole
CID 134816858
1-(4-bromophenyl)-2-(4-methoxyphenyl)benzimidazole
CID 134817006
1-(4-chlorophenyl)-2-(4-methoxyphenyl)benzimidazole
CID 19353947
2-[4-[6-[2-(diethylamino)ethoxy]-1-phenylbenzimidazol-2-yl]phenoxy]-N,N-diethylethanamine
CID 11799561
2-(2,3-diphenylbenzimidazol-5-yl)oxy-3-methylbutanoic acid
CID 67365280
6-hexoxy-1,2-diphenylbenzimidazole
CID 70171573
1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)phenoxy]phenyl]benzimidazole
CID 141099436
6-hexoxy-2-(3-methylphenyl)-1-phenylbenzimidazole
CID 141037240
1-(4-chlorophenyl)-2-(3-methoxyphenyl)benzimidazole
CID 134816857

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-6-methoxy-1-phenylbenzimidazole?
The IUPAC name of 2-(3,4-dimethylphenyl)-6-methoxy-1-phenylbenzimidazole (CID 19354019) is 2-(3,4-dimethylphenyl)-6-methoxy-1-phenylbenzimidazole.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-6-methoxy-1-phenylbenzimidazole?
The canonical SMILES for 2-(3,4-dimethylphenyl)-6-methoxy-1-phenylbenzimidazole is COc1ccc2nc(-c3ccc(C)c(C)c3)n(-c3ccccc3)c2c1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-6-methoxy-1-phenylbenzimidazole?
The InChIKey is AMEZPTYLCHBGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O/c1-15-9-10-17(13-16(15)2)22-23-20-12-11-19(25-3)14-21(20)24(22)18-7-5-4-6-8-18/h4-14H,1-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)-6-methoxy-1-phenylbenzimidazole?
2-(3,4-dimethylphenyl)-6-methoxy-1-phenylbenzimidazole has a molecular weight of 328.42 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-6-methoxy-1-phenylbenzimidazole is sourced from PubChem (CID 19354019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).