1-phenyl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide

C19H15N3OS — CID 141395939

IUPAC1-phenyl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)nc(Cc1cccs1)n2-c1ccccc1
InChIInChI=1S/C19H15N3OS/c20-19(23)13-8-9-17-16(11-13)21-18(12-15-7-4-10-24-15)22(17)14-5-2-1-3-6-14/h1-11H,12H2,(H2,20,23)
InChIKeyYHQPZFXWFHVLJE-UHFFFAOYSA-N
MW333.42 g/mol
LogP3.78
Rot. Bonds4

About 1-phenyl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide

1-phenyl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide (PubChem CID 141395939) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is 1-phenyl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-phenyl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
PubChem CID141395939
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC Name1-phenyl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)nc(Cc1cccs1)n2-c1ccccc1
InChIInChI=1S/C19H15N3OS/c20-19(23)13-8-9-17-16(11-13)21-18(12-15-7-4-10-24-15)22(17)14-5-2-1-3-6-14/h1-11H,12H2,(H2,20,23)
InChIKeyYHQPZFXWFHVLJE-UHFFFAOYSA-N
XLogP3.78
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide?
The IUPAC name of 1-phenyl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide (CID 141395939) is 1-phenyl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 1-phenyl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 1-phenyl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide is NC(=O)c1ccc2c(c1)nc(Cc1cccs1)n2-c1ccccc1.
What is the InChIKey of 1-phenyl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide?
The InChIKey is YHQPZFXWFHVLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c20-19(23)13-8-9-17-16(11-13)21-18(12-15-7-4-10-24-15)22(17)14-5-2-1-3-6-14/h1-11H,12H2,(H2,20,23).
What are the key properties of 1-phenyl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide?
1-phenyl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide has a molecular weight of 333.42 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 141395939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).