2-methyl-6-naphthalen-1-yl-1H-benzimidazole

C18H14N2 — CID 46951477

IUPAC2-methyl-6-naphthalen-1-yl-1H-benzimidazole
SMILESCc1nc2ccc(-c3cccc4ccccc34)cc2[nH]1
InChIInChI=1S/C18H14N2/c1-12-19-17-10-9-14(11-18(17)20-12)16-8-4-6-13-5-2-3-7-15(13)16/h2-11H,1H3,(H,19,20)
InChIKeyFBSSVVPDMYCEEP-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.69
Rot. Bonds1

About 2-methyl-6-naphthalen-1-yl-1H-benzimidazole

2-methyl-6-naphthalen-1-yl-1H-benzimidazole (PubChem CID 46951477) has the molecular formula C18H14N2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-methyl-6-naphthalen-1-yl-1H-benzimidazole.

Molecular Properties

Compound Name2-methyl-6-naphthalen-1-yl-1H-benzimidazole
PubChem CID46951477
Molecular FormulaC18H14N2
Molecular Weight258.32 g/mol
Exact Mass258.12
IUPAC Name2-methyl-6-naphthalen-1-yl-1H-benzimidazole
SMILESCc1nc2ccc(-c3cccc4ccccc34)cc2[nH]1
InChIInChI=1S/C18H14N2/c1-12-19-17-10-9-14(11-18(17)20-12)16-8-4-6-13-5-2-3-7-15(13)16/h2-11H,1H3,(H,19,20)
InChIKeyFBSSVVPDMYCEEP-UHFFFAOYSA-N
XLogP4.69
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-methyl-6-naphthalen-1-yl-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-naphthalen-1-yl-1H-benzimidazole?
The IUPAC name of 2-methyl-6-naphthalen-1-yl-1H-benzimidazole (CID 46951477) is 2-methyl-6-naphthalen-1-yl-1H-benzimidazole.
What is the SMILES notation for 2-methyl-6-naphthalen-1-yl-1H-benzimidazole?
The canonical SMILES for 2-methyl-6-naphthalen-1-yl-1H-benzimidazole is Cc1nc2ccc(-c3cccc4ccccc34)cc2[nH]1.
What is the InChIKey of 2-methyl-6-naphthalen-1-yl-1H-benzimidazole?
The InChIKey is FBSSVVPDMYCEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2/c1-12-19-17-10-9-14(11-18(17)20-12)16-8-4-6-13-5-2-3-7-15(13)16/h2-11H,1H3,(H,19,20).
What are the key properties of 2-methyl-6-naphthalen-1-yl-1H-benzimidazole?
2-methyl-6-naphthalen-1-yl-1H-benzimidazole has a molecular weight of 258.32 g/mol, XLogP of 4.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-naphthalen-1-yl-1H-benzimidazole is sourced from PubChem (CID 46951477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).