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

C16H15N3O2S — CID 134134682

IUPACN-cyclopropyl-5-(5-methoxybenzimidazol-1-yl)thiophene-2-carboxamide
SMILESCOc1ccc2c(c1)ncn2-c1ccc(C(=O)NC2CC2)s1
InChIInChI=1S/C16H15N3O2S/c1-21-11-4-5-13-12(8-11)17-9-19(13)15-7-6-14(22-15)16(20)18-10-2-3-10/h4-10H,2-3H2,1H3,(H,18,20)
InChIKeyVABBBVBSHPTBGE-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.99
Rot. Bonds4

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

N-cyclopropyl-5-(5-methoxybenzimidazol-1-yl)thiophene-2-carboxamide (PubChem CID 134134682) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-cyclopropyl-5-(5-methoxybenzimidazol-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-(5-methoxybenzimidazol-1-yl)thiophene-2-carboxamide
PubChem CID134134682
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-cyclopropyl-5-(5-methoxybenzimidazol-1-yl)thiophene-2-carboxamide
SMILESCOc1ccc2c(c1)ncn2-c1ccc(C(=O)NC2CC2)s1
InChIInChI=1S/C16H15N3O2S/c1-21-11-4-5-13-12(8-11)17-9-19(13)15-7-6-14(22-15)16(20)18-10-2-3-10/h4-10H,2-3H2,1H3,(H,18,20)
InChIKeyVABBBVBSHPTBGE-UHFFFAOYSA-N
XLogP2.99
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-5-(5-methoxybenzimidazol-1-yl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(5-methoxybenzimidazol-1-yl)thiophene-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-(5-methoxybenzimidazol-1-yl)thiophene-2-carboxamide (CID 134134682) is N-cyclopropyl-5-(5-methoxybenzimidazol-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-(5-methoxybenzimidazol-1-yl)thiophene-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-(5-methoxybenzimidazol-1-yl)thiophene-2-carboxamide is COc1ccc2c(c1)ncn2-c1ccc(C(=O)NC2CC2)s1.
What is the InChIKey of N-cyclopropyl-5-(5-methoxybenzimidazol-1-yl)thiophene-2-carboxamide?
The InChIKey is VABBBVBSHPTBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-21-11-4-5-13-12(8-11)17-9-19(13)15-7-6-14(22-15)16(20)18-10-2-3-10/h4-10H,2-3H2,1H3,(H,18,20).
What are the key properties of N-cyclopropyl-5-(5-methoxybenzimidazol-1-yl)thiophene-2-carboxamide?
N-cyclopropyl-5-(5-methoxybenzimidazol-1-yl)thiophene-2-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(5-methoxybenzimidazol-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 134134682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).