5-(5-chloro-2-methylbenzimidazol-1-yl)-N-cyclopropylthiophene-2-carboxamide

C16H14ClN3OS — CID 58284850

IUPAC5-(5-chloro-2-methylbenzimidazol-1-yl)-N-cyclopropylthiophene-2-carboxamide
SMILESCc1nc2cc(Cl)ccc2n1-c1ccc(C(=O)NC2CC2)s1
InChIInChI=1S/C16H14ClN3OS/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)
InChIKeyQOOWBQNDIMAUDB-UHFFFAOYSA-N
MW331.83 g/mol
LogP3.94
Rot. Bonds3

About 5-(5-chloro-2-methylbenzimidazol-1-yl)-N-cyclopropylthiophene-2-carboxamide

5-(5-chloro-2-methylbenzimidazol-1-yl)-N-cyclopropylthiophene-2-carboxamide (PubChem CID 58284850) has the molecular formula C16H14ClN3OS and a molecular weight of 331.83 g/mol. Its IUPAC name is 5-(5-chloro-2-methylbenzimidazol-1-yl)-N-cyclopropylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(5-chloro-2-methylbenzimidazol-1-yl)-N-cyclopropylthiophene-2-carboxamide
PubChem CID58284850
Molecular FormulaC16H14ClN3OS
Molecular Weight331.83 g/mol
Exact Mass331.05
IUPAC Name5-(5-chloro-2-methylbenzimidazol-1-yl)-N-cyclopropylthiophene-2-carboxamide
SMILESCc1nc2cc(Cl)ccc2n1-c1ccc(C(=O)NC2CC2)s1
InChIInChI=1S/C16H14ClN3OS/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)
InChIKeyQOOWBQNDIMAUDB-UHFFFAOYSA-N
XLogP3.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.83
LogP ≤ 53.94
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-(4-Chlorophenyl)-2-(2-(thiophen-2-yl)-1H-benzo[d]imidazol-1-yl)acetamide
CID 17033372
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-(2-methylbenzimidazol-1-yl)-N-cyclopropylthiophene-2-carboxamide
CID 58284852
N-cyclopropyl-5-(2,5-dimethylbenzimidazol-1-yl)thiophene-2-carboxamide
CID 58284875
5-(benzimidazol-1-yl)-N-cyclobutylthiophene-2-carboxamide
CID 58284878
5-(benzimidazol-1-yl)-N-propan-2-ylthiophene-2-carboxamide
CID 58284891
N-cyclopropyl-5-(2-propylbenzimidazol-1-yl)thiophene-2-carboxamide
CID 58284898
5-(benzimidazol-1-yl)-N-cyclopropylthiophene-2-carboxamide
CID 58284899

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methylbenzimidazol-1-yl)-N-cyclopropylthiophene-2-carboxamide?
The IUPAC name of 5-(5-chloro-2-methylbenzimidazol-1-yl)-N-cyclopropylthiophene-2-carboxamide (CID 58284850) is 5-(5-chloro-2-methylbenzimidazol-1-yl)-N-cyclopropylthiophene-2-carboxamide.
What is the SMILES notation for 5-(5-chloro-2-methylbenzimidazol-1-yl)-N-cyclopropylthiophene-2-carboxamide?
The canonical SMILES for 5-(5-chloro-2-methylbenzimidazol-1-yl)-N-cyclopropylthiophene-2-carboxamide is Cc1nc2cc(Cl)ccc2n1-c1ccc(C(=O)NC2CC2)s1.
What is the InChIKey of 5-(5-chloro-2-methylbenzimidazol-1-yl)-N-cyclopropylthiophene-2-carboxamide?
The InChIKey is QOOWBQNDIMAUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3OS/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 5-(5-chloro-2-methylbenzimidazol-1-yl)-N-cyclopropylthiophene-2-carboxamide?
5-(5-chloro-2-methylbenzimidazol-1-yl)-N-cyclopropylthiophene-2-carboxamide has a molecular weight of 331.83 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methylbenzimidazol-1-yl)-N-cyclopropylthiophene-2-carboxamide is sourced from PubChem (CID 58284850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).