2-(3-methoxyphenyl)-4-phenyl-1H-benzimidazole

C20H16N2O — CID 67700027

IUPAC2-(3-methoxyphenyl)-4-phenyl-1H-benzimidazole
SMILESCOc1cccc(-c2nc3c(-c4ccccc4)cccc3[nH]2)c1
InChIInChI=1S/C20H16N2O/c1-23-16-10-5-9-15(13-16)20-21-18-12-6-11-17(19(18)22-20)14-7-3-2-4-8-14/h2-13H,1H3,(H,21,22)
InChIKeyAYHQCHPNGWEFFR-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.91
Rot. Bonds3

About 2-(3-methoxyphenyl)-4-phenyl-1H-benzimidazole

2-(3-methoxyphenyl)-4-phenyl-1H-benzimidazole (PubChem CID 67700027) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-4-phenyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-4-phenyl-1H-benzimidazole
PubChem CID67700027
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name2-(3-methoxyphenyl)-4-phenyl-1H-benzimidazole
SMILESCOc1cccc(-c2nc3c(-c4ccccc4)cccc3[nH]2)c1
InChIInChI=1S/C20H16N2O/c1-23-16-10-5-9-15(13-16)20-21-18-12-6-11-17(19(18)22-20)14-7-3-2-4-8-14/h2-13H,1H3,(H,21,22)
InChIKeyAYHQCHPNGWEFFR-UHFFFAOYSA-N
XLogP4.91
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chlorophenyl)-2-(4-methoxyphenyl)-1H-benzimidazole
CID 67701746
3-(4-phenyl-1H-benzimidazol-2-yl)benzonitrile
CID 67701841
4,5-bis(3-methoxyphenyl)-2-(2-phenylphenyl)-1H-imidazole
CID 151753479
2-(3,5-dimethoxyphenyl)-4-fluoro-1H-benzimidazole
CID 60977992
2-chloro-4-(4-methoxyphenyl)-1H-benzimidazole
CID 121320344
4-[2-(3-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]pyridine
CID 10019342
2-(3-methoxyphenyl)-3H-quinazolin-4-one
CID 135486399
4-(3,4-dimethylphenyl)-2-(3-methoxyphenyl)-5-phenyl-1H-imidazole
CID 1110224
2-(3-phenoxyphenyl)-1H-benzimidazole
CID 1042921
2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821325
2-chloro-8-(3-methoxyphenyl)-7H-purine
CID 24904050
6-methoxy-2-methyl-4-phenyl-1H-benzimidazole
CID 145163449

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-4-phenyl-1H-benzimidazole?
The IUPAC name of 2-(3-methoxyphenyl)-4-phenyl-1H-benzimidazole (CID 67700027) is 2-(3-methoxyphenyl)-4-phenyl-1H-benzimidazole.
What is the SMILES notation for 2-(3-methoxyphenyl)-4-phenyl-1H-benzimidazole?
The canonical SMILES for 2-(3-methoxyphenyl)-4-phenyl-1H-benzimidazole is COc1cccc(-c2nc3c(-c4ccccc4)cccc3[nH]2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-4-phenyl-1H-benzimidazole?
The InChIKey is AYHQCHPNGWEFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c1-23-16-10-5-9-15(13-16)20-21-18-12-6-11-17(19(18)22-20)14-7-3-2-4-8-14/h2-13H,1H3,(H,21,22).
What are the key properties of 2-(3-methoxyphenyl)-4-phenyl-1H-benzimidazole?
2-(3-methoxyphenyl)-4-phenyl-1H-benzimidazole has a molecular weight of 300.36 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-4-phenyl-1H-benzimidazole is sourced from PubChem (CID 67700027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).