2-(3-methylphenyl)-1-phenylbenzimidazole

C20H16N2 — CID 19353973

IUPAC2-(3-methylphenyl)-1-phenylbenzimidazole
SMILESCc1cccc(-c2nc3ccccc3n2-c2ccccc2)c1
InChIInChI=1S/C20H16N2/c1-15-8-7-9-16(14-15)20-21-18-12-5-6-13-19(18)22(20)17-10-3-2-4-11-17/h2-14H,1H3
InChIKeyPOVNEKRWMLGDPI-UHFFFAOYSA-N
MW284.36 g/mol
LogP5.00
Rot. Bonds2

About 2-(3-methylphenyl)-1-phenylbenzimidazole

2-(3-methylphenyl)-1-phenylbenzimidazole (PubChem CID 19353973) has the molecular formula C20H16N2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-(3-methylphenyl)-1-phenylbenzimidazole
PubChem CID19353973
Molecular FormulaC20H16N2
Molecular Weight284.36 g/mol
Exact Mass284.13
IUPAC Name2-(3-methylphenyl)-1-phenylbenzimidazole
SMILESCc1cccc(-c2nc3ccccc3n2-c2ccccc2)c1
InChIInChI=1S/C20H16N2/c1-15-8-7-9-16(14-15)20-21-18-12-5-6-13-19(18)22(20)17-10-3-2-4-11-17/h2-14H,1H3
InChIKeyPOVNEKRWMLGDPI-UHFFFAOYSA-N
XLogP5.00
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.36
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1-phenylbenzimidazole?
The IUPAC name of 2-(3-methylphenyl)-1-phenylbenzimidazole (CID 19353973) is 2-(3-methylphenyl)-1-phenylbenzimidazole.
What is the SMILES notation for 2-(3-methylphenyl)-1-phenylbenzimidazole?
The canonical SMILES for 2-(3-methylphenyl)-1-phenylbenzimidazole is Cc1cccc(-c2nc3ccccc3n2-c2ccccc2)c1.
What is the InChIKey of 2-(3-methylphenyl)-1-phenylbenzimidazole?
The InChIKey is POVNEKRWMLGDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2/c1-15-8-7-9-16(14-15)20-21-18-12-5-6-13-19(18)22(20)17-10-3-2-4-11-17/h2-14H,1H3.
What are the key properties of 2-(3-methylphenyl)-1-phenylbenzimidazole?
2-(3-methylphenyl)-1-phenylbenzimidazole has a molecular weight of 284.36 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1-phenylbenzimidazole is sourced from PubChem (CID 19353973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).