N-(1-ethylbenzimidazol-2-yl)thiophene-2-carboxamide

C14H13N3OS — CID 652748

IUPACN-(1-ethylbenzimidazol-2-yl)thiophene-2-carboxamide
SMILESCCn1c(NC(=O)c2cccs2)nc2ccccc21
InChIInChI=1S/C14H13N3OS/c1-2-17-11-7-4-3-6-10(11)15-14(17)16-13(18)12-8-5-9-19-12/h3-9H,2H2,1H3,(H,15,16,18)
InChIKeyUVQPAHGWEJTPKF-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.37
Rot. Bonds3

About N-(1-ethylbenzimidazol-2-yl)thiophene-2-carboxamide

N-(1-ethylbenzimidazol-2-yl)thiophene-2-carboxamide (PubChem CID 652748) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is N-(1-ethylbenzimidazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-ethylbenzimidazol-2-yl)thiophene-2-carboxamide
PubChem CID652748
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC NameN-(1-ethylbenzimidazol-2-yl)thiophene-2-carboxamide
SMILESCCn1c(NC(=O)c2cccs2)nc2ccccc21
InChIInChI=1S/C14H13N3OS/c1-2-17-11-7-4-3-6-10(11)15-14(17)16-13(18)12-8-5-9-19-12/h3-9H,2H2,1H3,(H,15,16,18)
InChIKeyUVQPAHGWEJTPKF-UHFFFAOYSA-N
XLogP3.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylbenzimidazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1-ethylbenzimidazol-2-yl)thiophene-2-carboxamide (CID 652748) is N-(1-ethylbenzimidazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-ethylbenzimidazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-ethylbenzimidazol-2-yl)thiophene-2-carboxamide is CCn1c(NC(=O)c2cccs2)nc2ccccc21.
What is the InChIKey of N-(1-ethylbenzimidazol-2-yl)thiophene-2-carboxamide?
The InChIKey is UVQPAHGWEJTPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-2-17-11-7-4-3-6-10(11)15-14(17)16-13(18)12-8-5-9-19-12/h3-9H,2H2,1H3,(H,15,16,18).
What are the key properties of N-(1-ethylbenzimidazol-2-yl)thiophene-2-carboxamide?
N-(1-ethylbenzimidazol-2-yl)thiophene-2-carboxamide has a molecular weight of 271.35 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylbenzimidazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 652748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).