1-benzyl-2-(4-methoxyphenyl)benzimidazole

C21H18N2O — CID 748273

IUPAC1-benzyl-2-(4-methoxyphenyl)benzimidazole
SMILESCOc1ccc(-c2nc3ccccc3n2Cc2ccccc2)cc1
InChIInChI=1S/C21H18N2O/c1-24-18-13-11-17(12-14-18)21-22-19-9-5-6-10-20(19)23(21)15-16-7-3-2-4-8-16/h2-14H,15H2,1H3
InChIKeyISMBHJPYMAQLNS-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.76
Rot. Bonds4

About 1-benzyl-2-(4-methoxyphenyl)benzimidazole

1-benzyl-2-(4-methoxyphenyl)benzimidazole (PubChem CID 748273) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-benzyl-2-(4-methoxyphenyl)benzimidazole.

Molecular Properties

Compound Name1-benzyl-2-(4-methoxyphenyl)benzimidazole
PubChem CID748273
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name1-benzyl-2-(4-methoxyphenyl)benzimidazole
SMILESCOc1ccc(-c2nc3ccccc3n2Cc2ccccc2)cc1
InChIInChI=1S/C21H18N2O/c1-24-18-13-11-17(12-14-18)21-22-19-9-5-6-10-20(19)23(21)15-16-7-3-2-4-8-16/h2-14H,15H2,1H3
InChIKeyISMBHJPYMAQLNS-UHFFFAOYSA-N
XLogP4.76
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Astemizole
CID 2247
Etonitazene
CID 13493
Coumarin 30
CID 100335
Protonitazene
CID 156589001
Etodesnitazene
CID 149797386
Metonitazene
CID 53316366
7-Methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 146659124
Metodesnitazene
CID 26412
N,N-Diethyl-2-((4-(1-methylethoxy)phenyl)methyl)-5-nitro-1H-benzimidazole-1-ethanamine
CID 145721979
2-(4-methoxyphenyl)-1H-1,3-benzodiazole
CID 345686
2-(2-methoxyphenyl)-1H-benzimidazole
CID 759420
Deltarasin
CID 73292904

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(4-methoxyphenyl)benzimidazole?
The IUPAC name of 1-benzyl-2-(4-methoxyphenyl)benzimidazole (CID 748273) is 1-benzyl-2-(4-methoxyphenyl)benzimidazole.
What is the SMILES notation for 1-benzyl-2-(4-methoxyphenyl)benzimidazole?
The canonical SMILES for 1-benzyl-2-(4-methoxyphenyl)benzimidazole is COc1ccc(-c2nc3ccccc3n2Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-2-(4-methoxyphenyl)benzimidazole?
The InChIKey is ISMBHJPYMAQLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O/c1-24-18-13-11-17(12-14-18)21-22-19-9-5-6-10-20(19)23(21)15-16-7-3-2-4-8-16/h2-14H,15H2,1H3.
What are the key properties of 1-benzyl-2-(4-methoxyphenyl)benzimidazole?
1-benzyl-2-(4-methoxyphenyl)benzimidazole has a molecular weight of 314.39 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(4-methoxyphenyl)benzimidazole is sourced from PubChem (CID 748273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).