N-[3-(1H-benzimidazol-2-yl)propyl]thiophene-2-carboxamide

C15H15N3OS — CID 2052962

IUPACN-[3-(1H-benzimidazol-2-yl)propyl]thiophene-2-carboxamide
SMILESO=C(NCCCc1nc2ccccc2[nH]1)c1cccs1
InChIInChI=1S/C15H15N3OS/c19-15(13-7-4-10-20-13)16-9-3-8-14-17-11-5-1-2-6-12(11)18-14/h1-2,4-7,10H,3,8-9H2,(H,16,19)(H,17,18)
InChIKeyGYKMFSLWVHKGQX-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.99
Rot. Bonds5

About N-[3-(1H-benzimidazol-2-yl)propyl]thiophene-2-carboxamide

N-[3-(1H-benzimidazol-2-yl)propyl]thiophene-2-carboxamide (PubChem CID 2052962) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)propyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)propyl]thiophene-2-carboxamide
PubChem CID2052962
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC NameN-[3-(1H-benzimidazol-2-yl)propyl]thiophene-2-carboxamide
SMILESO=C(NCCCc1nc2ccccc2[nH]1)c1cccs1
InChIInChI=1S/C15H15N3OS/c19-15(13-7-4-10-20-13)16-9-3-8-14-17-11-5-1-2-6-12(11)18-14/h1-2,4-7,10H,3,8-9H2,(H,16,19)(H,17,18)
InChIKeyGYKMFSLWVHKGQX-UHFFFAOYSA-N
XLogP2.99
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]thiophene-2-carboxamide (CID 2052962) is N-[3-(1H-benzimidazol-2-yl)propyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)propyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)propyl]thiophene-2-carboxamide is O=C(NCCCc1nc2ccccc2[nH]1)c1cccs1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)propyl]thiophene-2-carboxamide?
The InChIKey is GYKMFSLWVHKGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c19-15(13-7-4-10-20-13)16-9-3-8-14-17-11-5-1-2-6-12(11)18-14/h1-2,4-7,10H,3,8-9H2,(H,16,19)(H,17,18).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)propyl]thiophene-2-carboxamide?
N-[3-(1H-benzimidazol-2-yl)propyl]thiophene-2-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)propyl]thiophene-2-carboxamide is sourced from PubChem (CID 2052962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).