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

C18H19N3OS — CID 58284898

IUPACN-cyclopropyl-5-(2-propylbenzimidazol-1-yl)thiophene-2-carboxamide
SMILESCCCc1nc2ccccc2n1-c1ccc(C(=O)NC2CC2)s1
InChIInChI=1S/C18H19N3OS/c1-2-5-16-20-13-6-3-4-7-14(13)21(16)17-11-10-15(23-17)18(22)19-12-8-9-12/h3-4,6-7,10-12H,2,5,8-9H2,1H3,(H,19,22)
InChIKeyWLURKKZKBITTHW-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.93
Rot. Bonds5

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

N-cyclopropyl-5-(2-propylbenzimidazol-1-yl)thiophene-2-carboxamide (PubChem CID 58284898) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is N-cyclopropyl-5-(2-propylbenzimidazol-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-(2-propylbenzimidazol-1-yl)thiophene-2-carboxamide
PubChem CID58284898
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC NameN-cyclopropyl-5-(2-propylbenzimidazol-1-yl)thiophene-2-carboxamide
SMILESCCCc1nc2ccccc2n1-c1ccc(C(=O)NC2CC2)s1
InChIInChI=1S/C18H19N3OS/c1-2-5-16-20-13-6-3-4-7-14(13)21(16)17-11-10-15(23-17)18(22)19-12-8-9-12/h3-4,6-7,10-12H,2,5,8-9H2,1H3,(H,19,22)
InChIKeyWLURKKZKBITTHW-UHFFFAOYSA-N
XLogP3.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(2-propylbenzimidazol-1-yl)thiophene-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-(2-propylbenzimidazol-1-yl)thiophene-2-carboxamide (CID 58284898) is N-cyclopropyl-5-(2-propylbenzimidazol-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-(2-propylbenzimidazol-1-yl)thiophene-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-(2-propylbenzimidazol-1-yl)thiophene-2-carboxamide is CCCc1nc2ccccc2n1-c1ccc(C(=O)NC2CC2)s1.
What is the InChIKey of N-cyclopropyl-5-(2-propylbenzimidazol-1-yl)thiophene-2-carboxamide?
The InChIKey is WLURKKZKBITTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-2-5-16-20-13-6-3-4-7-14(13)21(16)17-11-10-15(23-17)18(22)19-12-8-9-12/h3-4,6-7,10-12H,2,5,8-9H2,1H3,(H,19,22).
What are the key properties of N-cyclopropyl-5-(2-propylbenzimidazol-1-yl)thiophene-2-carboxamide?
N-cyclopropyl-5-(2-propylbenzimidazol-1-yl)thiophene-2-carboxamide has a molecular weight of 325.44 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(2-propylbenzimidazol-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 58284898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).