N-(1H-benzimidazol-2-ylmethyl)-5-ethylthiophene-2-carboxamide

C15H15N3OS — CID 51205056

IUPACN-(1H-benzimidazol-2-ylmethyl)-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)NCc2nc3ccccc3[nH]2)s1
InChIInChI=1S/C15H15N3OS/c1-2-10-7-8-13(20-10)15(19)16-9-14-17-11-5-3-4-6-12(11)18-14/h3-8H,2,9H2,1H3,(H,16,19)(H,17,18)
InChIKeyKAPNYOSEFWGDRF-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.12
Rot. Bonds4

About N-(1H-benzimidazol-2-ylmethyl)-5-ethylthiophene-2-carboxamide

N-(1H-benzimidazol-2-ylmethyl)-5-ethylthiophene-2-carboxamide (PubChem CID 51205056) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-5-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-5-ethylthiophene-2-carboxamide
PubChem CID51205056
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)NCc2nc3ccccc3[nH]2)s1
InChIInChI=1S/C15H15N3OS/c1-2-10-7-8-13(20-10)15(19)16-9-14-17-11-5-3-4-6-12(11)18-14/h3-8H,2,9H2,1H3,(H,16,19)(H,17,18)
InChIKeyKAPNYOSEFWGDRF-UHFFFAOYSA-N
XLogP3.12
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[5-(1H-benzimidazol-2-ylmethylcarbamoyl)thiophene-2-carbonyl]amino]propanoic acid
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ethyl N-(1H-benzimidazol-2-ylmethyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-5-ethylthiophene-2-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-5-ethylthiophene-2-carboxamide (CID 51205056) is N-(1H-benzimidazol-2-ylmethyl)-5-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-5-ethylthiophene-2-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-5-ethylthiophene-2-carboxamide is CCc1ccc(C(=O)NCc2nc3ccccc3[nH]2)s1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-5-ethylthiophene-2-carboxamide?
The InChIKey is KAPNYOSEFWGDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-2-10-7-8-13(20-10)15(19)16-9-14-17-11-5-3-4-6-12(11)18-14/h3-8H,2,9H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-5-ethylthiophene-2-carboxamide?
N-(1H-benzimidazol-2-ylmethyl)-5-ethylthiophene-2-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-5-ethylthiophene-2-carboxamide is sourced from PubChem (CID 51205056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).