1-[(3-methylphenyl)methyl]-2-(5-methylthiophen-2-yl)benzimidazole

C20H18N2S — CID 129161943

IUPAC1-[(3-methylphenyl)methyl]-2-(5-methylthiophen-2-yl)benzimidazole
SMILESCc1cccc(Cn2c(-c3ccc(C)s3)nc3ccccc32)c1
InChIInChI=1S/C20H18N2S/c1-14-6-5-7-16(12-14)13-22-18-9-4-3-8-17(18)21-20(22)19-11-10-15(2)23-19/h3-12H,13H2,1-2H3
InChIKeyMYNIIYIGYXEAGC-UHFFFAOYSA-N
MW318.45 g/mol
LogP5.43
Rot. Bonds3

About 1-[(3-methylphenyl)methyl]-2-(5-methylthiophen-2-yl)benzimidazole

1-[(3-methylphenyl)methyl]-2-(5-methylthiophen-2-yl)benzimidazole (PubChem CID 129161943) has the molecular formula C20H18N2S and a molecular weight of 318.45 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-2-(5-methylthiophen-2-yl)benzimidazole.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-2-(5-methylthiophen-2-yl)benzimidazole
PubChem CID129161943
Molecular FormulaC20H18N2S
Molecular Weight318.45 g/mol
Exact Mass318.12
IUPAC Name1-[(3-methylphenyl)methyl]-2-(5-methylthiophen-2-yl)benzimidazole
SMILESCc1cccc(Cn2c(-c3ccc(C)s3)nc3ccccc32)c1
InChIInChI=1S/C20H18N2S/c1-14-6-5-7-16(12-14)13-22-18-9-4-3-8-17(18)21-20(22)19-11-10-15(2)23-19/h3-12H,13H2,1-2H3
InChIKeyMYNIIYIGYXEAGC-UHFFFAOYSA-N
XLogP5.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.45
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-2-(5-methylthiophen-2-yl)benzimidazole?
The IUPAC name of 1-[(3-methylphenyl)methyl]-2-(5-methylthiophen-2-yl)benzimidazole (CID 129161943) is 1-[(3-methylphenyl)methyl]-2-(5-methylthiophen-2-yl)benzimidazole.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-2-(5-methylthiophen-2-yl)benzimidazole?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-2-(5-methylthiophen-2-yl)benzimidazole is Cc1cccc(Cn2c(-c3ccc(C)s3)nc3ccccc32)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-2-(5-methylthiophen-2-yl)benzimidazole?
The InChIKey is MYNIIYIGYXEAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2S/c1-14-6-5-7-16(12-14)13-22-18-9-4-3-8-17(18)21-20(22)19-11-10-15(2)23-19/h3-12H,13H2,1-2H3.
What are the key properties of 1-[(3-methylphenyl)methyl]-2-(5-methylthiophen-2-yl)benzimidazole?
1-[(3-methylphenyl)methyl]-2-(5-methylthiophen-2-yl)benzimidazole has a molecular weight of 318.45 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]-2-(5-methylthiophen-2-yl)benzimidazole is sourced from PubChem (CID 129161943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).