2-(2,4-dimethoxyphenyl)-1-phenylbenzimidazole

C21H18N2O2 — CID 86118323

IUPAC2-(2,4-dimethoxyphenyl)-1-phenylbenzimidazole
SMILESCOc1ccc(-c2nc3ccccc3n2-c2ccccc2)c(OC)c1
InChIInChI=1S/C21H18N2O2/c1-24-16-12-13-17(20(14-16)25-2)21-22-18-10-6-7-11-19(18)23(21)15-8-4-3-5-9-15/h3-14H,1-2H3
InChIKeyQVKBEXNDKPLTRA-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.71
Rot. Bonds4

About 2-(2,4-dimethoxyphenyl)-1-phenylbenzimidazole

2-(2,4-dimethoxyphenyl)-1-phenylbenzimidazole (PubChem CID 86118323) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-1-phenylbenzimidazole
PubChem CID86118323
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name2-(2,4-dimethoxyphenyl)-1-phenylbenzimidazole
SMILESCOc1ccc(-c2nc3ccccc3n2-c2ccccc2)c(OC)c1
InChIInChI=1S/C21H18N2O2/c1-24-16-12-13-17(20(14-16)25-2)21-22-18-10-6-7-11-19(18)23(21)15-8-4-3-5-9-15/h3-14H,1-2H3
InChIKeyQVKBEXNDKPLTRA-UHFFFAOYSA-N
XLogP4.71
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]benzimidazole
CID 129257071
[2-(1-phenylbenzimidazol-2-yl)phenyl] hypoiodite
CID 129164240
1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931
2-(3,4-dimethylphenyl)-6-methoxy-1-phenylbenzimidazole
CID 19354019
2-[2,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
CID 141061579
1-phenyl-2-(2-phenylphenyl)benzimidazole
CID 139044287
1-(4-bromophenyl)-2-(4-methoxyphenyl)benzimidazole
CID 134817006
1-(4-fluorophenyl)-2-(4-methoxyphenyl)benzimidazole
CID 134816858
1-(2,5-dimethoxyphenyl)benzimidazol-2-amine
CID 43148885
1-(4-chlorophenyl)-2-(4-methoxyphenyl)benzimidazole
CID 19353947
2-(4-bromo-2-phenylmethoxyphenyl)-1-phenylbenzimidazole
CID 121392547
1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)phenoxy]phenyl]benzimidazole
CID 141099436

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-1-phenylbenzimidazole?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-1-phenylbenzimidazole (CID 86118323) is 2-(2,4-dimethoxyphenyl)-1-phenylbenzimidazole.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-1-phenylbenzimidazole?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-1-phenylbenzimidazole is COc1ccc(-c2nc3ccccc3n2-c2ccccc2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-1-phenylbenzimidazole?
The InChIKey is QVKBEXNDKPLTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-24-16-12-13-17(20(14-16)25-2)21-22-18-10-6-7-11-19(18)23(21)15-8-4-3-5-9-15/h3-14H,1-2H3.
What are the key properties of 2-(2,4-dimethoxyphenyl)-1-phenylbenzimidazole?
2-(2,4-dimethoxyphenyl)-1-phenylbenzimidazole has a molecular weight of 330.39 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-1-phenylbenzimidazole is sourced from PubChem (CID 86118323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).