N-cyclopropyl-5-(4-methoxy-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide

C17H17N3O2S — CID 70687452

IUPACN-cyclopropyl-5-(4-methoxy-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide
SMILESCOc1cccc2c1nc(C)n2-c1ccc(C(=O)NC2CC2)s1
InChIInChI=1S/C17H17N3O2S/c1-10-18-16-12(4-3-5-13(16)22-2)20(10)15-9-8-14(23-15)17(21)19-11-6-7-11/h3-5,8-9,11H,6-7H2,1-2H3,(H,19,21)
InChIKeyZZYPFZFLXNTBRH-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.30
Rot. Bonds4

About N-cyclopropyl-5-(4-methoxy-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide

N-cyclopropyl-5-(4-methoxy-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide (PubChem CID 70687452) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-cyclopropyl-5-(4-methoxy-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-(4-methoxy-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide
PubChem CID70687452
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-cyclopropyl-5-(4-methoxy-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide
SMILESCOc1cccc2c1nc(C)n2-c1ccc(C(=O)NC2CC2)s1
InChIInChI=1S/C17H17N3O2S/c1-10-18-16-12(4-3-5-13(16)22-2)20(10)15-9-8-14(23-15)17(21)19-11-6-7-11/h3-5,8-9,11H,6-7H2,1-2H3,(H,19,21)
InChIKeyZZYPFZFLXNTBRH-UHFFFAOYSA-N
XLogP3.30
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(4-methoxy-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-(4-methoxy-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide (CID 70687452) is N-cyclopropyl-5-(4-methoxy-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-(4-methoxy-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-(4-methoxy-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide is COc1cccc2c1nc(C)n2-c1ccc(C(=O)NC2CC2)s1.
What is the InChIKey of N-cyclopropyl-5-(4-methoxy-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide?
The InChIKey is ZZYPFZFLXNTBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-10-18-16-12(4-3-5-13(16)22-2)20(10)15-9-8-14(23-15)17(21)19-11-6-7-11/h3-5,8-9,11H,6-7H2,1-2H3,(H,19,21).
What are the key properties of N-cyclopropyl-5-(4-methoxy-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide?
N-cyclopropyl-5-(4-methoxy-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(4-methoxy-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 70687452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).