2-(4-methylphenyl)-1-(1-phenylethyl)benzimidazole

C22H20N2 — CID 18878803

IUPAC2-(4-methylphenyl)-1-(1-phenylethyl)benzimidazole
SMILESCc1ccc(-c2nc3ccccc3n2C(C)c2ccccc2)cc1
InChIInChI=1S/C22H20N2/c1-16-12-14-19(15-13-16)22-23-20-10-6-7-11-21(20)24(22)17(2)18-8-4-3-5-9-18/h3-15,17H,1-2H3
InChIKeyFNNDUSYAVNKWRR-UHFFFAOYSA-N
MW312.42 g/mol
LogP5.62
Rot. Bonds3

About 2-(4-methylphenyl)-1-(1-phenylethyl)benzimidazole

2-(4-methylphenyl)-1-(1-phenylethyl)benzimidazole (PubChem CID 18878803) has the molecular formula C22H20N2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-(1-phenylethyl)benzimidazole.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-(1-phenylethyl)benzimidazole
PubChem CID18878803
Molecular FormulaC22H20N2
Molecular Weight312.42 g/mol
Exact Mass312.16
IUPAC Name2-(4-methylphenyl)-1-(1-phenylethyl)benzimidazole
SMILESCc1ccc(-c2nc3ccccc3n2C(C)c2ccccc2)cc1
InChIInChI=1S/C22H20N2/c1-16-12-14-19(15-13-16)22-23-20-10-6-7-11-21(20)24(22)17(2)18-8-4-3-5-9-18/h3-15,17H,1-2H3
InChIKeyFNNDUSYAVNKWRR-UHFFFAOYSA-N
XLogP5.62
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 ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxyphenyl)-1-[(1S)-1-phenylethyl]benzimidazole
CID 881414
1-(2-deuteriopropan-2-yl)-2-[4-(trideuteriomethyl)phenyl]benzimidazole
CID 166563825
1-(1-phenylethyl)-2-propan-2-ylbenzimidazole
CID 3623918
1-(2-deuteriopropan-2-yl)-2-phenylbenzimidazole
CID 166563925
2-phenyl-1-(1-phenylsulfanylethyl)benzimidazole
CID 3729841
2-ethyl-1-[(1R)-1-phenylethyl]benzimidazole
CID 962439
2-[2-(4-methylphenyl)benzimidazol-1-yl]butanoic acid
CID 82144650
4-(1-propan-2-ylbenzimidazol-2-yl)benzoic acid
CID 4915596
1-(difluoromethyl)-2-phenylbenzimidazole
CID 91167618
2-[2-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]imidazol-1-yl]ethanol
CID 95564066
2-(methoxymethyl)-1-[(1R)-1-phenylethyl]benzimidazole
CID 975484
2-(2-chloroethyl)-1-(1-phenylethyl)benzimidazole
CID 43666303

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-(1-phenylethyl)benzimidazole?
The IUPAC name of 2-(4-methylphenyl)-1-(1-phenylethyl)benzimidazole (CID 18878803) is 2-(4-methylphenyl)-1-(1-phenylethyl)benzimidazole.
What is the SMILES notation for 2-(4-methylphenyl)-1-(1-phenylethyl)benzimidazole?
The canonical SMILES for 2-(4-methylphenyl)-1-(1-phenylethyl)benzimidazole is Cc1ccc(-c2nc3ccccc3n2C(C)c2ccccc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-(1-phenylethyl)benzimidazole?
The InChIKey is FNNDUSYAVNKWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2/c1-16-12-14-19(15-13-16)22-23-20-10-6-7-11-21(20)24(22)17(2)18-8-4-3-5-9-18/h3-15,17H,1-2H3.
What are the key properties of 2-(4-methylphenyl)-1-(1-phenylethyl)benzimidazole?
2-(4-methylphenyl)-1-(1-phenylethyl)benzimidazole has a molecular weight of 312.42 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-(1-phenylethyl)benzimidazole is sourced from PubChem (CID 18878803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).