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

C16H15N3OS — CID 58284852

IUPACN-cyclopropyl-5-(2-methylbenzimidazol-1-yl)thiophene-2-carboxamide
SMILESCc1nc2ccccc2n1-c1ccc(C(=O)NC2CC2)s1
InChIInChI=1S/C16H15N3OS/c1-10-17-12-4-2-3-5-13(12)19(10)15-9-8-14(21-15)16(20)18-11-6-7-11/h2-5,8-9,11H,6-7H2,1H3,(H,18,20)
InChIKeyNDTLHRZTCBQAAJ-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.29
Rot. Bonds3

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

N-cyclopropyl-5-(2-methylbenzimidazol-1-yl)thiophene-2-carboxamide (PubChem CID 58284852) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is N-cyclopropyl-5-(2-methylbenzimidazol-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-(2-methylbenzimidazol-1-yl)thiophene-2-carboxamide
PubChem CID58284852
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC NameN-cyclopropyl-5-(2-methylbenzimidazol-1-yl)thiophene-2-carboxamide
SMILESCc1nc2ccccc2n1-c1ccc(C(=O)NC2CC2)s1
InChIInChI=1S/C16H15N3OS/c1-10-17-12-4-2-3-5-13(12)19(10)15-9-8-14(21-15)16(20)18-11-6-7-11/h2-5,8-9,11H,6-7H2,1H3,(H,18,20)
InChIKeyNDTLHRZTCBQAAJ-UHFFFAOYSA-N
XLogP3.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.29
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-methylbenzimidazol-1-yl)thiophene-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-(2-methylbenzimidazol-1-yl)thiophene-2-carboxamide (CID 58284852) is N-cyclopropyl-5-(2-methylbenzimidazol-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-(2-methylbenzimidazol-1-yl)thiophene-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-(2-methylbenzimidazol-1-yl)thiophene-2-carboxamide is Cc1nc2ccccc2n1-c1ccc(C(=O)NC2CC2)s1.
What is the InChIKey of N-cyclopropyl-5-(2-methylbenzimidazol-1-yl)thiophene-2-carboxamide?
The InChIKey is NDTLHRZTCBQAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-10-17-12-4-2-3-5-13(12)19(10)15-9-8-14(21-15)16(20)18-11-6-7-11/h2-5,8-9,11H,6-7H2,1H3,(H,18,20).
What are the key properties of N-cyclopropyl-5-(2-methylbenzimidazol-1-yl)thiophene-2-carboxamide?
N-cyclopropyl-5-(2-methylbenzimidazol-1-yl)thiophene-2-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(2-methylbenzimidazol-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 58284852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).