2-methyl-6-(4-phenylphenyl)-1H-benzimidazole

C20H16N2 — CID 175938016

IUPAC2-methyl-6-(4-phenylphenyl)-1H-benzimidazole
SMILESCc1nc2ccc(-c3ccc(-c4ccccc4)cc3)cc2[nH]1
InChIInChI=1S/C20H16N2/c1-14-21-19-12-11-18(13-20(19)22-14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,21,22)
InChIKeyFRORYIIVUFAGDI-UHFFFAOYSA-N
MW284.36 g/mol
LogP5.21
Rot. Bonds2

About 2-methyl-6-(4-phenylphenyl)-1H-benzimidazole

2-methyl-6-(4-phenylphenyl)-1H-benzimidazole (PubChem CID 175938016) has the molecular formula C20H16N2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-methyl-6-(4-phenylphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-methyl-6-(4-phenylphenyl)-1H-benzimidazole
PubChem CID175938016
Molecular FormulaC20H16N2
Molecular Weight284.36 g/mol
Exact Mass284.13
IUPAC Name2-methyl-6-(4-phenylphenyl)-1H-benzimidazole
SMILESCc1nc2ccc(-c3ccc(-c4ccccc4)cc3)cc2[nH]1
InChIInChI=1S/C20H16N2/c1-14-21-19-12-11-18(13-20(19)22-14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,21,22)
InChIKeyFRORYIIVUFAGDI-UHFFFAOYSA-N
XLogP5.21
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.36
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-6-phenyl-1H-benzimidazole
CID 97036463
6-phenyl-2-propan-2-yl-1H-benzimidazole
CID 58158979
2-methyl-6-naphthalen-1-yl-1H-benzimidazole
CID 46951477
ethane;bis(2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole);bis(2-methyl-6-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole)
CID 158043672
6-phenyl-2-prop-1-ynyl-1H-benzimidazole
CID 59007816
2-methyl-6-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole
CID 116856632
2-(2-methyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxylic acid
CID 71243393
2-methyl-1H-benzimidazole
CID 11984
[4-(2-methyl-3H-benzimidazol-5-yl)phenyl]-pyridin-3-ylmethanone
CID 166359596
2-methyl-6-(2H-tetrazol-5-yl)-1H-benzimidazole
CID 158790051
2-methyl-6-(2H-tetrazol-5-yl)-1H-benzimidazole
CID 861438
2-(6-phenyl-1H-benzimidazol-2-yl)ethanamine
CID 155970920

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-phenylphenyl)-1H-benzimidazole?
The IUPAC name of 2-methyl-6-(4-phenylphenyl)-1H-benzimidazole (CID 175938016) is 2-methyl-6-(4-phenylphenyl)-1H-benzimidazole.
What is the SMILES notation for 2-methyl-6-(4-phenylphenyl)-1H-benzimidazole?
The canonical SMILES for 2-methyl-6-(4-phenylphenyl)-1H-benzimidazole is Cc1nc2ccc(-c3ccc(-c4ccccc4)cc3)cc2[nH]1.
What is the InChIKey of 2-methyl-6-(4-phenylphenyl)-1H-benzimidazole?
The InChIKey is FRORYIIVUFAGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2/c1-14-21-19-12-11-18(13-20(19)22-14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,21,22).
What are the key properties of 2-methyl-6-(4-phenylphenyl)-1H-benzimidazole?
2-methyl-6-(4-phenylphenyl)-1H-benzimidazole has a molecular weight of 284.36 g/mol, XLogP of 5.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-phenylphenyl)-1H-benzimidazole is sourced from PubChem (CID 175938016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).