N-cyclopropyl-5-(2-methyl-5-propan-2-yloxybenzimidazol-1-yl)thiophene-2-carboxamide

C19H21N3O2S — CID 58284814

IUPACN-cyclopropyl-5-(2-methyl-5-propan-2-yloxybenzimidazol-1-yl)thiophene-2-carboxamide
SMILESCc1nc2cc(OC(C)C)ccc2n1-c1ccc(C(=O)NC2CC2)s1
InChIInChI=1S/C19H21N3O2S/c1-11(2)24-14-6-7-16-15(10-14)20-12(3)22(16)18-9-8-17(25-18)19(23)21-13-4-5-13/h6-11,13H,4-5H2,1-3H3,(H,21,23)
InChIKeyQJLVGSFMSOPURN-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.07
Rot. Bonds5

About N-cyclopropyl-5-(2-methyl-5-propan-2-yloxybenzimidazol-1-yl)thiophene-2-carboxamide

N-cyclopropyl-5-(2-methyl-5-propan-2-yloxybenzimidazol-1-yl)thiophene-2-carboxamide (PubChem CID 58284814) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-cyclopropyl-5-(2-methyl-5-propan-2-yloxybenzimidazol-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-(2-methyl-5-propan-2-yloxybenzimidazol-1-yl)thiophene-2-carboxamide
PubChem CID58284814
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-cyclopropyl-5-(2-methyl-5-propan-2-yloxybenzimidazol-1-yl)thiophene-2-carboxamide
SMILESCc1nc2cc(OC(C)C)ccc2n1-c1ccc(C(=O)NC2CC2)s1
InChIInChI=1S/C19H21N3O2S/c1-11(2)24-14-6-7-16-15(10-14)20-12(3)22(16)18-9-8-17(25-18)19(23)21-13-4-5-13/h6-11,13H,4-5H2,1-3H3,(H,21,23)
InChIKeyQJLVGSFMSOPURN-UHFFFAOYSA-N
XLogP4.07
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(2-methyl-5-propan-2-yloxybenzimidazol-1-yl)thiophene-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-(2-methyl-5-propan-2-yloxybenzimidazol-1-yl)thiophene-2-carboxamide (CID 58284814) is N-cyclopropyl-5-(2-methyl-5-propan-2-yloxybenzimidazol-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-(2-methyl-5-propan-2-yloxybenzimidazol-1-yl)thiophene-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-(2-methyl-5-propan-2-yloxybenzimidazol-1-yl)thiophene-2-carboxamide is Cc1nc2cc(OC(C)C)ccc2n1-c1ccc(C(=O)NC2CC2)s1.
What is the InChIKey of N-cyclopropyl-5-(2-methyl-5-propan-2-yloxybenzimidazol-1-yl)thiophene-2-carboxamide?
The InChIKey is QJLVGSFMSOPURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-11(2)24-14-6-7-16-15(10-14)20-12(3)22(16)18-9-8-17(25-18)19(23)21-13-4-5-13/h6-11,13H,4-5H2,1-3H3,(H,21,23).
What are the key properties of N-cyclopropyl-5-(2-methyl-5-propan-2-yloxybenzimidazol-1-yl)thiophene-2-carboxamide?
N-cyclopropyl-5-(2-methyl-5-propan-2-yloxybenzimidazol-1-yl)thiophene-2-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(2-methyl-5-propan-2-yloxybenzimidazol-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 58284814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).