2-(4-methylphenyl)-1-(naphthalen-1-ylmethyl)benzimidazole

C25H20N2 — CID 18878804

IUPAC2-(4-methylphenyl)-1-(naphthalen-1-ylmethyl)benzimidazole
SMILESCc1ccc(-c2nc3ccccc3n2Cc2cccc3ccccc23)cc1
InChIInChI=1S/C25H20N2/c1-18-13-15-20(16-14-18)25-26-23-11-4-5-12-24(23)27(25)17-21-9-6-8-19-7-2-3-10-22(19)21/h2-16H,17H2,1H3
InChIKeyBWCIGACPOQYHDO-UHFFFAOYSA-N
MW348.45 g/mol
LogP6.21
Rot. Bonds3

About 2-(4-methylphenyl)-1-(naphthalen-1-ylmethyl)benzimidazole

2-(4-methylphenyl)-1-(naphthalen-1-ylmethyl)benzimidazole (PubChem CID 18878804) has the molecular formula C25H20N2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-(naphthalen-1-ylmethyl)benzimidazole.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-(naphthalen-1-ylmethyl)benzimidazole
PubChem CID18878804
Molecular FormulaC25H20N2
Molecular Weight348.45 g/mol
Exact Mass348.16
IUPAC Name2-(4-methylphenyl)-1-(naphthalen-1-ylmethyl)benzimidazole
SMILESCc1ccc(-c2nc3ccccc3n2Cc2cccc3ccccc23)cc1
InChIInChI=1S/C25H20N2/c1-18-13-15-20(16-14-18)25-26-23-11-4-5-12-24(23)27(25)17-21-9-6-8-19-7-2-3-10-22(19)21/h2-16H,17H2,1H3
InChIKeyBWCIGACPOQYHDO-UHFFFAOYSA-N
XLogP6.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-(naphthalen-1-ylmethyl)benzimidazole?
The IUPAC name of 2-(4-methylphenyl)-1-(naphthalen-1-ylmethyl)benzimidazole (CID 18878804) is 2-(4-methylphenyl)-1-(naphthalen-1-ylmethyl)benzimidazole.
What is the SMILES notation for 2-(4-methylphenyl)-1-(naphthalen-1-ylmethyl)benzimidazole?
The canonical SMILES for 2-(4-methylphenyl)-1-(naphthalen-1-ylmethyl)benzimidazole is Cc1ccc(-c2nc3ccccc3n2Cc2cccc3ccccc23)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-(naphthalen-1-ylmethyl)benzimidazole?
The InChIKey is BWCIGACPOQYHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2/c1-18-13-15-20(16-14-18)25-26-23-11-4-5-12-24(23)27(25)17-21-9-6-8-19-7-2-3-10-22(19)21/h2-16H,17H2,1H3.
What are the key properties of 2-(4-methylphenyl)-1-(naphthalen-1-ylmethyl)benzimidazole?
2-(4-methylphenyl)-1-(naphthalen-1-ylmethyl)benzimidazole has a molecular weight of 348.45 g/mol, XLogP of 6.21, 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-(naphthalen-1-ylmethyl)benzimidazole is sourced from PubChem (CID 18878804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).