2-(3-methylphenyl)-1-[(2-methylphenyl)methyl]benzimidazole

C22H20N2 — CID 17000755

IUPAC2-(3-methylphenyl)-1-[(2-methylphenyl)methyl]benzimidazole
SMILESCc1cccc(-c2nc3ccccc3n2Cc2ccccc2C)c1
InChIInChI=1S/C22H20N2/c1-16-8-7-11-18(14-16)22-23-20-12-5-6-13-21(20)24(22)15-19-10-4-3-9-17(19)2/h3-14H,15H2,1-2H3
InChIKeyVXHIMXBXIHIMFI-UHFFFAOYSA-N
MW312.42 g/mol
LogP5.37
Rot. Bonds3

About 2-(3-methylphenyl)-1-[(2-methylphenyl)methyl]benzimidazole

2-(3-methylphenyl)-1-[(2-methylphenyl)methyl]benzimidazole (PubChem CID 17000755) has the molecular formula C22H20N2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1-[(2-methylphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-(3-methylphenyl)-1-[(2-methylphenyl)methyl]benzimidazole
PubChem CID17000755
Molecular FormulaC22H20N2
Molecular Weight312.42 g/mol
Exact Mass312.16
IUPAC Name2-(3-methylphenyl)-1-[(2-methylphenyl)methyl]benzimidazole
SMILESCc1cccc(-c2nc3ccccc3n2Cc2ccccc2C)c1
InChIInChI=1S/C22H20N2/c1-16-8-7-11-18(14-16)22-23-20-12-5-6-13-21(20)24(22)15-19-10-4-3-9-17(19)2/h3-14H,15H2,1-2H3
InChIKeyVXHIMXBXIHIMFI-UHFFFAOYSA-N
XLogP5.37
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.42
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-methylphenyl)methyl]-2-phenylbenzimidazole
CID 1320430
2-(3-bromophenyl)-1-[(2-methylphenyl)methyl]benzimidazole
CID 4202224
2-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]benzimidazole
CID 17001968
4-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]aniline
CID 92629106
3-[[2-(3-methylphenyl)benzimidazol-1-yl]methyl]phenol
CID 15388681
2-(4-methylphenyl)-1-(naphthalen-1-ylmethyl)benzimidazole
CID 18878804
2-(5-methylfuran-2-yl)-1-[(2-methylphenyl)methyl]benzimidazole
CID 129161859
2-(3-methylphenyl)-1-octadecylbenzimidazole
CID 17000753
3-methyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967026
2-(4-bromophenyl)-1-[(3-methylphenyl)methyl]benzimidazole
CID 17001142
2-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethanol
CID 17027842
ethyl 2-[2-(3-methylphenyl)benzimidazol-1-yl]acetate
CID 17000863

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1-[(2-methylphenyl)methyl]benzimidazole?
The IUPAC name of 2-(3-methylphenyl)-1-[(2-methylphenyl)methyl]benzimidazole (CID 17000755) is 2-(3-methylphenyl)-1-[(2-methylphenyl)methyl]benzimidazole.
What is the SMILES notation for 2-(3-methylphenyl)-1-[(2-methylphenyl)methyl]benzimidazole?
The canonical SMILES for 2-(3-methylphenyl)-1-[(2-methylphenyl)methyl]benzimidazole is Cc1cccc(-c2nc3ccccc3n2Cc2ccccc2C)c1.
What is the InChIKey of 2-(3-methylphenyl)-1-[(2-methylphenyl)methyl]benzimidazole?
The InChIKey is VXHIMXBXIHIMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2/c1-16-8-7-11-18(14-16)22-23-20-12-5-6-13-21(20)24(22)15-19-10-4-3-9-17(19)2/h3-14H,15H2,1-2H3.
What are the key properties of 2-(3-methylphenyl)-1-[(2-methylphenyl)methyl]benzimidazole?
2-(3-methylphenyl)-1-[(2-methylphenyl)methyl]benzimidazole has a molecular weight of 312.42 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1-[(2-methylphenyl)methyl]benzimidazole is sourced from PubChem (CID 17000755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).