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

C23H22N2 — CID 18878943

IUPAC1-[(3-methylphenyl)methyl]-2-(2-phenylethyl)benzimidazole
SMILESCc1cccc(Cn2c(CCc3ccccc3)nc3ccccc32)c1
InChIInChI=1S/C23H22N2/c1-18-8-7-11-20(16-18)17-25-22-13-6-5-12-21(22)24-23(25)15-14-19-9-3-2-4-10-19/h2-13,16H,14-15,17H2,1H3
InChIKeyDHICXQMBMAANJN-UHFFFAOYSA-N
MW326.44 g/mol
LogP5.18
Rot. Bonds5

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

1-[(3-methylphenyl)methyl]-2-(2-phenylethyl)benzimidazole (PubChem CID 18878943) has the molecular formula C23H22N2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-2-(2-phenylethyl)benzimidazole.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-2-(2-phenylethyl)benzimidazole
PubChem CID18878943
Molecular FormulaC23H22N2
Molecular Weight326.44 g/mol
Exact Mass326.18
IUPAC Name1-[(3-methylphenyl)methyl]-2-(2-phenylethyl)benzimidazole
SMILESCc1cccc(Cn2c(CCc3ccccc3)nc3ccccc32)c1
InChIInChI=1S/C23H22N2/c1-18-8-7-11-20(16-18)17-25-22-13-6-5-12-21(22)24-23(25)15-14-19-9-3-2-4-10-19/h2-13,16H,14-15,17H2,1H3
InChIKeyDHICXQMBMAANJN-UHFFFAOYSA-N
XLogP5.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-methylphenyl)methyl]-2-[(4-phenylphenyl)methyl]benzimidazole
CID 16987368
1-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878939
1-[(4-tert-butylphenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878938
2-methyl-N-[2-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980386
4-methyl-N-[2-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976528
1-benzyl-2-propylbenzimidazole
CID 764560
N-[2-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16975159
1-benzyl-2-[3-(1-benzylbenzimidazol-2-yl)propyl]benzimidazole
CID 21369618
2-(2-phenylethyl)-1-propylbenzimidazole
CID 969694
(S)-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]-phenylmethanol
CID 972889
2-methyl-N-[5-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]pentyl]prop-2-enamide
CID 16992370
4-[[2-(2-phenylethyl)benzimidazol-1-yl]methyl]benzonitrile
CID 39148178

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-2-(2-phenylethyl)benzimidazole?
The IUPAC name of 1-[(3-methylphenyl)methyl]-2-(2-phenylethyl)benzimidazole (CID 18878943) is 1-[(3-methylphenyl)methyl]-2-(2-phenylethyl)benzimidazole.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-2-(2-phenylethyl)benzimidazole?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-2-(2-phenylethyl)benzimidazole is Cc1cccc(Cn2c(CCc3ccccc3)nc3ccccc32)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-2-(2-phenylethyl)benzimidazole?
The InChIKey is DHICXQMBMAANJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2/c1-18-8-7-11-20(16-18)17-25-22-13-6-5-12-21(22)24-23(25)15-14-19-9-3-2-4-10-19/h2-13,16H,14-15,17H2,1H3.
What are the key properties of 1-[(3-methylphenyl)methyl]-2-(2-phenylethyl)benzimidazole?
1-[(3-methylphenyl)methyl]-2-(2-phenylethyl)benzimidazole has a molecular weight of 326.44 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]-2-(2-phenylethyl)benzimidazole is sourced from PubChem (CID 18878943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).