2-(4-methoxyphenyl)-1-[(1S)-1-phenylethyl]benzimidazole

C22H20N2O — CID 881414

IUPAC2-(4-methoxyphenyl)-1-[(1S)-1-phenylethyl]benzimidazole
SMILESCOc1ccc(-c2nc3ccccc3n2[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C22H20N2O/c1-16(17-8-4-3-5-9-17)24-21-11-7-6-10-20(21)23-22(24)18-12-14-19(25-2)15-13-18/h3-16H,1-2H3/t16-/m0/s1
InChIKeyOAAGVFFIXBIKHG-INIZCTEOSA-N
MW328.42 g/mol
LogP5.32
Rot. Bonds4

About 2-(4-methoxyphenyl)-1-[(1S)-1-phenylethyl]benzimidazole

2-(4-methoxyphenyl)-1-[(1S)-1-phenylethyl]benzimidazole (PubChem CID 881414) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-[(1S)-1-phenylethyl]benzimidazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-[(1S)-1-phenylethyl]benzimidazole
PubChem CID881414
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name2-(4-methoxyphenyl)-1-[(1S)-1-phenylethyl]benzimidazole
SMILESCOc1ccc(-c2nc3ccccc3n2[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C22H20N2O/c1-16(17-8-4-3-5-9-17)24-21-11-7-6-10-20(21)23-22(24)18-12-14-19(25-2)15-13-18/h3-16H,1-2H3/t16-/m0/s1
InChIKeyOAAGVFFIXBIKHG-INIZCTEOSA-N
XLogP5.32
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.42
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-1-(1-phenylethyl)benzimidazole
CID 18878803
2-phenyl-1-(1-phenylsulfanylethyl)benzimidazole
CID 3729841
6-(4-methoxyphenyl)benzimidazolo[1,2-c]quinazoline
CID 12826322
2-(methoxymethyl)-1-[(1R)-1-phenylethyl]benzimidazole
CID 975484
1-(1-phenylethyl)-2-propan-2-ylbenzimidazole
CID 3623918
1-(2-deuteriopropan-2-yl)-2-phenylbenzimidazole
CID 166563925
1-(4-fluorophenyl)-2-(4-methoxyphenyl)benzimidazole
CID 134816858
2-ethyl-1-[(1R)-1-phenylethyl]benzimidazole
CID 962439
2-[1-(4-chlorophenoxy)ethyl]-1-(1-phenylethyl)benzimidazole
CID 16998925
2-[(2-methoxyphenoxy)methyl]-1-(1-phenylethyl)benzimidazole
CID 5088785
[5-methoxy-1-(1-phenylethyl)benzimidazol-2-yl]methanamine
CID 82334325
4-(1-propan-2-ylbenzimidazol-2-yl)benzoic acid
CID 4915596

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-[(1S)-1-phenylethyl]benzimidazole?
The IUPAC name of 2-(4-methoxyphenyl)-1-[(1S)-1-phenylethyl]benzimidazole (CID 881414) is 2-(4-methoxyphenyl)-1-[(1S)-1-phenylethyl]benzimidazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-[(1S)-1-phenylethyl]benzimidazole?
The canonical SMILES for 2-(4-methoxyphenyl)-1-[(1S)-1-phenylethyl]benzimidazole is COc1ccc(-c2nc3ccccc3n2[C@@H](C)c2ccccc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-[(1S)-1-phenylethyl]benzimidazole?
The InChIKey is OAAGVFFIXBIKHG-INIZCTEOSA-N. The full InChI is InChI=1S/C22H20N2O/c1-16(17-8-4-3-5-9-17)24-21-11-7-6-10-20(21)23-22(24)18-12-14-19(25-2)15-13-18/h3-16H,1-2H3/t16-/m0/s1.
What are the key properties of 2-(4-methoxyphenyl)-1-[(1S)-1-phenylethyl]benzimidazole?
2-(4-methoxyphenyl)-1-[(1S)-1-phenylethyl]benzimidazole has a molecular weight of 328.42 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-[(1S)-1-phenylethyl]benzimidazole is sourced from PubChem (CID 881414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).