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

C16H14FN3OS — CID 58284858

IUPACN-cyclopropyl-5-(5-fluoro-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide
SMILESCc1nc2cc(F)ccc2n1-c1ccc(C(=O)NC2CC2)s1
InChIInChI=1S/C16H14FN3OS/c1-9-18-12-8-10(17)2-5-13(12)20(9)15-7-6-14(22-15)16(21)19-11-3-4-11/h2,5-8,11H,3-4H2,1H3,(H,19,21)
InChIKeyZMABOCMNPRSBGX-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.43
Rot. Bonds3

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

N-cyclopropyl-5-(5-fluoro-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide (PubChem CID 58284858) has the molecular formula C16H14FN3OS and a molecular weight of 315.37 g/mol. Its IUPAC name is N-cyclopropyl-5-(5-fluoro-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-(5-fluoro-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide
PubChem CID58284858
Molecular FormulaC16H14FN3OS
Molecular Weight315.37 g/mol
Exact Mass315.08
IUPAC NameN-cyclopropyl-5-(5-fluoro-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide
SMILESCc1nc2cc(F)ccc2n1-c1ccc(C(=O)NC2CC2)s1
InChIInChI=1S/C16H14FN3OS/c1-9-18-12-8-10(17)2-5-13(12)20(9)15-7-6-14(22-15)16(21)19-11-3-4-11/h2,5-8,11H,3-4H2,1H3,(H,19,21)
InChIKeyZMABOCMNPRSBGX-UHFFFAOYSA-N
XLogP3.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-Cyano-2-Methyl-1h-Benzimidazol-1-Yl)-N-Cyclopropylthiophene-2-Carboxamide
CID 53494972
N-(1-propyl-5-benzimidazolyl)-2-thiophenecarboxamide
CID 828719
N-(2-(2-(Acetylamino)ethyl)-1-methyl-1H-benzimidazol-5-yl)-2-thiophenecarboxamide
CID 4971215
N-{1-methyl-2-[2-(propanoylamino)ethyl]-1H-benzimidazol-5-yl}thiophene-2-carboxamide
CID 6484089
(2-Aminobenzimidazol-1-yl)-thiophen-2-ylmethanone;hydrochloride
CID 16195176
N-(1-ethylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 652748
5-(1h-benzimidazol-1-yl)-N-propylthiophene-2-carboxamide
CID 44480861
5-(2-methyl-1h-benzimidazol-1-yl)-N-propylthiophene-2-carboxamide
CID 44480862
5-(benzimidazol-1-yl)-N-methylthiophene-2-carboxamide
CID 58284844
5-(benzimidazol-1-yl)-N-ethylthiophene-2-carboxamide
CID 58284845
5-(5-chloro-2-methylbenzimidazol-1-yl)-N-cyclopropylthiophene-2-carboxamide
CID 58284850
5-(2-methylbenzimidazol-1-yl)-N-cyclopropylthiophene-2-carboxamide
CID 58284852

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(5-fluoro-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-(5-fluoro-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide (CID 58284858) is N-cyclopropyl-5-(5-fluoro-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-(5-fluoro-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-(5-fluoro-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide is Cc1nc2cc(F)ccc2n1-c1ccc(C(=O)NC2CC2)s1.
What is the InChIKey of N-cyclopropyl-5-(5-fluoro-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide?
The InChIKey is ZMABOCMNPRSBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3OS/c1-9-18-12-8-10(17)2-5-13(12)20(9)15-7-6-14(22-15)16(21)19-11-3-4-11/h2,5-8,11H,3-4H2,1H3,(H,19,21).
What are the key properties of N-cyclopropyl-5-(5-fluoro-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide?
N-cyclopropyl-5-(5-fluoro-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 3.43, 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-fluoro-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 58284858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).