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

C17H17N3O2S — CID 58284868

IUPACN-cyclopropyl-5-(5-methoxy-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide
SMILESCOc1ccc2c(c1)nc(C)n2-c1ccc(C(=O)NC2CC2)s1
InChIInChI=1S/C17H17N3O2S/c1-10-18-13-9-12(22-2)5-6-14(13)20(10)16-8-7-15(23-16)17(21)19-11-3-4-11/h5-9,11H,3-4H2,1-2H3,(H,19,21)
InChIKeyMHKAPBXZAFYGFS-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.30
Rot. Bonds4

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

N-cyclopropyl-5-(5-methoxy-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide (PubChem CID 58284868) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-cyclopropyl-5-(5-methoxy-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-(5-methoxy-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide
PubChem CID58284868
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-cyclopropyl-5-(5-methoxy-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide
SMILESCOc1ccc2c(c1)nc(C)n2-c1ccc(C(=O)NC2CC2)s1
InChIInChI=1S/C17H17N3O2S/c1-10-18-13-9-12(22-2)5-6-14(13)20(10)16-8-7-15(23-16)17(21)19-11-3-4-11/h5-9,11H,3-4H2,1-2H3,(H,19,21)
InChIKeyMHKAPBXZAFYGFS-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-(5-methoxy-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-(5-methoxy-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide (CID 58284868) is N-cyclopropyl-5-(5-methoxy-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-(5-methoxy-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-(5-methoxy-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide is COc1ccc2c(c1)nc(C)n2-c1ccc(C(=O)NC2CC2)s1.
What is the InChIKey of N-cyclopropyl-5-(5-methoxy-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide?
The InChIKey is MHKAPBXZAFYGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-10-18-13-9-12(22-2)5-6-14(13)20(10)16-8-7-15(23-16)17(21)19-11-3-4-11/h5-9,11H,3-4H2,1-2H3,(H,19,21).
What are the key properties of N-cyclopropyl-5-(5-methoxy-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide?
N-cyclopropyl-5-(5-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-(5-methoxy-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 58284868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).