1-[(2-methylphenyl)methyl]-2-phenylbenzimidazole

C21H18N2 — CID 1320430

IUPAC1-[(2-methylphenyl)methyl]-2-phenylbenzimidazole
SMILESCc1ccccc1Cn1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C21H18N2/c1-16-9-5-6-12-18(16)15-23-20-14-8-7-13-19(20)22-21(23)17-10-3-2-4-11-17/h2-14H,15H2,1H3
InChIKeySTFHVZUIFOQQNN-UHFFFAOYSA-N
MW298.39 g/mol
LogP5.06
Rot. Bonds3

About 1-[(2-methylphenyl)methyl]-2-phenylbenzimidazole

1-[(2-methylphenyl)methyl]-2-phenylbenzimidazole (PubChem CID 1320430) has the molecular formula C21H18N2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]-2-phenylbenzimidazole.

Molecular Properties

Compound Name1-[(2-methylphenyl)methyl]-2-phenylbenzimidazole
PubChem CID1320430
Molecular FormulaC21H18N2
Molecular Weight298.39 g/mol
Exact Mass298.15
IUPAC Name1-[(2-methylphenyl)methyl]-2-phenylbenzimidazole
SMILESCc1ccccc1Cn1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C21H18N2/c1-16-9-5-6-12-18(16)15-23-20-14-8-7-13-19(20)22-21(23)17-10-3-2-4-11-17/h2-14H,15H2,1H3
InChIKeySTFHVZUIFOQQNN-UHFFFAOYSA-N
XLogP5.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.39
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]aniline
CID 92629106
2-(3-methylphenyl)-1-[(2-methylphenyl)methyl]benzimidazole
CID 17000755
2-(3-bromophenyl)-1-[(2-methylphenyl)methyl]benzimidazole
CID 4202224
2-(5-methylfuran-2-yl)-1-[(2-methylphenyl)methyl]benzimidazole
CID 129161859
2-(4-methylphenyl)-1-(naphthalen-1-ylmethyl)benzimidazole
CID 18878804
2-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethanol
CID 17027842
2-(4-methylphenyl)-3-[(2-methylphenyl)methyl]quinazolin-4-one
CID 23963016
4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]aniline
CID 92629105
2-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]benzimidazole
CID 17001968
2-methyl-1-[[2-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
CID 154733183
1-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)benzimidazole
CID 19243205
4-ethyl-3-[(2-phenylbenzimidazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione
CID 155536076

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methyl]-2-phenylbenzimidazole?
The IUPAC name of 1-[(2-methylphenyl)methyl]-2-phenylbenzimidazole (CID 1320430) is 1-[(2-methylphenyl)methyl]-2-phenylbenzimidazole.
What is the SMILES notation for 1-[(2-methylphenyl)methyl]-2-phenylbenzimidazole?
The canonical SMILES for 1-[(2-methylphenyl)methyl]-2-phenylbenzimidazole is Cc1ccccc1Cn1c(-c2ccccc2)nc2ccccc21.
What is the InChIKey of 1-[(2-methylphenyl)methyl]-2-phenylbenzimidazole?
The InChIKey is STFHVZUIFOQQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2/c1-16-9-5-6-12-18(16)15-23-20-14-8-7-13-19(20)22-21(23)17-10-3-2-4-11-17/h2-14H,15H2,1H3.
What are the key properties of 1-[(2-methylphenyl)methyl]-2-phenylbenzimidazole?
1-[(2-methylphenyl)methyl]-2-phenylbenzimidazole has a molecular weight of 298.39 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methyl]-2-phenylbenzimidazole is sourced from PubChem (CID 1320430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).