N-cyclopropyl-5-(5,6-difluoro-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide

C16H13F2N3OS — CID 58284877

IUPACN-cyclopropyl-5-(5,6-difluoro-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide
SMILESCc1nc2cc(F)c(F)cc2n1-c1ccc(C(=O)NC2CC2)s1
InChIInChI=1S/C16H13F2N3OS/c1-8-19-12-6-10(17)11(18)7-13(12)21(8)15-5-4-14(23-15)16(22)20-9-2-3-9/h4-7,9H,2-3H2,1H3,(H,20,22)
InChIKeyFBZQWYOZXKENJW-UHFFFAOYSA-N
MW333.36 g/mol
LogP3.57
Rot. Bonds3

About N-cyclopropyl-5-(5,6-difluoro-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide

N-cyclopropyl-5-(5,6-difluoro-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide (PubChem CID 58284877) has the molecular formula C16H13F2N3OS and a molecular weight of 333.36 g/mol. Its IUPAC name is N-cyclopropyl-5-(5,6-difluoro-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-(5,6-difluoro-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide
PubChem CID58284877
Molecular FormulaC16H13F2N3OS
Molecular Weight333.36 g/mol
Exact Mass333.07
IUPAC NameN-cyclopropyl-5-(5,6-difluoro-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide
SMILESCc1nc2cc(F)c(F)cc2n1-c1ccc(C(=O)NC2CC2)s1
InChIInChI=1S/C16H13F2N3OS/c1-8-19-12-6-10(17)11(18)7-13(12)21(8)15-5-4-14(23-15)16(22)20-9-2-3-9/h4-7,9H,2-3H2,1H3,(H,20,22)
InChIKeyFBZQWYOZXKENJW-UHFFFAOYSA-N
XLogP3.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(5,6-difluoro-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-(5,6-difluoro-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide (CID 58284877) is N-cyclopropyl-5-(5,6-difluoro-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-(5,6-difluoro-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-(5,6-difluoro-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide is Cc1nc2cc(F)c(F)cc2n1-c1ccc(C(=O)NC2CC2)s1.
What is the InChIKey of N-cyclopropyl-5-(5,6-difluoro-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide?
The InChIKey is FBZQWYOZXKENJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3OS/c1-8-19-12-6-10(17)11(18)7-13(12)21(8)15-5-4-14(23-15)16(22)20-9-2-3-9/h4-7,9H,2-3H2,1H3,(H,20,22).
What are the key properties of N-cyclopropyl-5-(5,6-difluoro-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide?
N-cyclopropyl-5-(5,6-difluoro-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide has a molecular weight of 333.36 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(5,6-difluoro-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 58284877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).