N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]thiophene-2-carboxamide

C16H17N3OS — CID 50844493

IUPACN-[(1-propan-2-ylbenzimidazol-5-yl)methyl]thiophene-2-carboxamide
SMILESCC(C)n1cnc2cc(CNC(=O)c3cccs3)ccc21
InChIInChI=1S/C16H17N3OS/c1-11(2)19-10-18-13-8-12(5-6-14(13)19)9-17-16(20)15-4-3-7-21-15/h3-8,10-11H,9H2,1-2H3,(H,17,20)
InChIKeyJSCVNPSYORVHOT-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.61
Rot. Bonds4

About N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]thiophene-2-carboxamide

N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]thiophene-2-carboxamide (PubChem CID 50844493) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1-propan-2-ylbenzimidazol-5-yl)methyl]thiophene-2-carboxamide
PubChem CID50844493
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC NameN-[(1-propan-2-ylbenzimidazol-5-yl)methyl]thiophene-2-carboxamide
SMILESCC(C)n1cnc2cc(CNC(=O)c3cccs3)ccc21
InChIInChI=1S/C16H17N3OS/c1-11(2)19-10-18-13-8-12(5-6-14(13)19)9-17-16(20)15-4-3-7-21-15/h3-8,10-11H,9H2,1-2H3,(H,17,20)
InChIKeyJSCVNPSYORVHOT-UHFFFAOYSA-N
XLogP3.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]thiophene-2-carboxamide (CID 50844493) is N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]thiophene-2-carboxamide is CC(C)n1cnc2cc(CNC(=O)c3cccs3)ccc21.
What is the InChIKey of N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]thiophene-2-carboxamide?
The InChIKey is JSCVNPSYORVHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-11(2)19-10-18-13-8-12(5-6-14(13)19)9-17-16(20)15-4-3-7-21-15/h3-8,10-11H,9H2,1-2H3,(H,17,20).
What are the key properties of N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]thiophene-2-carboxamide?
N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]thiophene-2-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 50844493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).