N-(1-propylbenzimidazol-5-yl)thiophene-2-carboxamide

C15H15N3OS — CID 828719

IUPACN-(1-propylbenzimidazol-5-yl)thiophene-2-carboxamide
SMILESCCCn1cnc2cc(NC(=O)c3cccs3)ccc21
InChIInChI=1S/C15H15N3OS/c1-2-7-18-10-16-12-9-11(5-6-13(12)18)17-15(19)14-4-3-8-20-14/h3-6,8-10H,2,7H2,1H3,(H,17,19)
InChIKeyMCSFXOOAQRIUGA-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.76
Rot. Bonds4

About N-(1-propylbenzimidazol-5-yl)thiophene-2-carboxamide

N-(1-propylbenzimidazol-5-yl)thiophene-2-carboxamide (PubChem CID 828719) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(1-propylbenzimidazol-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-propylbenzimidazol-5-yl)thiophene-2-carboxamide
PubChem CID828719
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC NameN-(1-propylbenzimidazol-5-yl)thiophene-2-carboxamide
SMILESCCCn1cnc2cc(NC(=O)c3cccs3)ccc21
InChIInChI=1S/C15H15N3OS/c1-2-7-18-10-16-12-9-11(5-6-13(12)18)17-15(19)14-4-3-8-20-14/h3-6,8-10H,2,7H2,1H3,(H,17,19)
InChIKeyMCSFXOOAQRIUGA-UHFFFAOYSA-N
XLogP3.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-propylbenzimidazol-5-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1-propylbenzimidazol-5-yl)thiophene-2-carboxamide (CID 828719) is N-(1-propylbenzimidazol-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-propylbenzimidazol-5-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-propylbenzimidazol-5-yl)thiophene-2-carboxamide is CCCn1cnc2cc(NC(=O)c3cccs3)ccc21.
What is the InChIKey of N-(1-propylbenzimidazol-5-yl)thiophene-2-carboxamide?
The InChIKey is MCSFXOOAQRIUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-2-7-18-10-16-12-9-11(5-6-13(12)18)17-15(19)14-4-3-8-20-14/h3-6,8-10H,2,7H2,1H3,(H,17,19).
What are the key properties of N-(1-propylbenzimidazol-5-yl)thiophene-2-carboxamide?
N-(1-propylbenzimidazol-5-yl)thiophene-2-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propylbenzimidazol-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 828719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).