1-(naphthalen-2-ylmethyl)-2-thiophen-2-ylbenzimidazole

C22H16N2S — CID 4305398

IUPAC1-(naphthalen-2-ylmethyl)-2-thiophen-2-ylbenzimidazole
SMILESc1csc(-c2nc3ccccc3n2Cc2ccc3ccccc3c2)c1
InChIInChI=1S/C22H16N2S/c1-2-7-18-14-16(11-12-17(18)6-1)15-24-20-9-4-3-8-19(20)23-22(24)21-10-5-13-25-21/h1-14H,15H2
InChIKeyLBHNKGXWXGCGEH-UHFFFAOYSA-N
MW340.45 g/mol
LogP5.97
Rot. Bonds3

About 1-(naphthalen-2-ylmethyl)-2-thiophen-2-ylbenzimidazole

1-(naphthalen-2-ylmethyl)-2-thiophen-2-ylbenzimidazole (PubChem CID 4305398) has the molecular formula C22H16N2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-(naphthalen-2-ylmethyl)-2-thiophen-2-ylbenzimidazole.

Molecular Properties

Compound Name1-(naphthalen-2-ylmethyl)-2-thiophen-2-ylbenzimidazole
PubChem CID4305398
Molecular FormulaC22H16N2S
Molecular Weight340.45 g/mol
Exact Mass340.10
IUPAC Name1-(naphthalen-2-ylmethyl)-2-thiophen-2-ylbenzimidazole
SMILESc1csc(-c2nc3ccccc3n2Cc2ccc3ccccc3c2)c1
InChIInChI=1S/C22H16N2S/c1-2-7-18-14-16(11-12-17(18)6-1)15-24-20-9-4-3-8-19(20)23-22(24)21-10-5-13-25-21/h1-14H,15H2
InChIKeyLBHNKGXWXGCGEH-UHFFFAOYSA-N
XLogP5.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.45
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-chlorophenyl)methyl]-2-thiophen-2-ylbenzimidazole
CID 4227677
1-[(4-butan-2-ylphenyl)methyl]-2-thiophen-2-ylbenzimidazole
CID 17000265
1-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylbenzimidazole
CID 17000268
1-[(E)-3-phenylprop-2-enyl]-2-thiophen-2-ylbenzimidazole
CID 17000270
1-(2-bromoprop-2-enyl)-2-thiophen-2-ylbenzimidazole
CID 830206
1-[2-(3-methylphenoxy)ethyl]-2-thiophen-2-ylbenzimidazole
CID 17000282
1-methyl-2-thiophen-2-ylbenzimidazole
CID 931177
1-[2-(4-propan-2-ylphenoxy)ethyl]-2-thiophen-2-ylbenzimidazole
CID 17000289
1-(piperidin-4-ylmethyl)-2-thiophen-2-ylbenzimidazole
CID 82149676
1-piperidin-1-yl-2-(2-thiophen-2-ylbenzimidazol-1-yl)ethanone
CID 17000352
1-[(3-methylphenyl)methyl]-2-(5-methylthiophen-2-yl)benzimidazole
CID 129161943
2-[(2,5-dimethylphenoxy)methyl]-1-(naphthalen-2-ylmethyl)benzimidazole
CID 18878170

Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-2-ylmethyl)-2-thiophen-2-ylbenzimidazole?
The IUPAC name of 1-(naphthalen-2-ylmethyl)-2-thiophen-2-ylbenzimidazole (CID 4305398) is 1-(naphthalen-2-ylmethyl)-2-thiophen-2-ylbenzimidazole.
What is the SMILES notation for 1-(naphthalen-2-ylmethyl)-2-thiophen-2-ylbenzimidazole?
The canonical SMILES for 1-(naphthalen-2-ylmethyl)-2-thiophen-2-ylbenzimidazole is c1csc(-c2nc3ccccc3n2Cc2ccc3ccccc3c2)c1.
What is the InChIKey of 1-(naphthalen-2-ylmethyl)-2-thiophen-2-ylbenzimidazole?
The InChIKey is LBHNKGXWXGCGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2S/c1-2-7-18-14-16(11-12-17(18)6-1)15-24-20-9-4-3-8-19(20)23-22(24)21-10-5-13-25-21/h1-14H,15H2.
What are the key properties of 1-(naphthalen-2-ylmethyl)-2-thiophen-2-ylbenzimidazole?
1-(naphthalen-2-ylmethyl)-2-thiophen-2-ylbenzimidazole has a molecular weight of 340.45 g/mol, XLogP of 5.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-2-ylmethyl)-2-thiophen-2-ylbenzimidazole is sourced from PubChem (CID 4305398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).