N-[1-[3-(benzimidazol-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide

C20H24N4O2S — CID 51222009

IUPACN-[1-[3-(benzimidazol-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
SMILESCC(C)C(NC(=O)c1cccs1)C(=O)NCCCn1cnc2ccccc21
InChIInChI=1S/C20H24N4O2S/c1-14(2)18(23-19(25)17-9-5-12-27-17)20(26)21-10-6-11-24-13-22-15-7-3-4-8-16(15)24/h3-5,7-9,12-14,18H,6,10-11H2,1-2H3,(H,21,26)(H,23,25)
InChIKeyWBWPJEFBZDAVCS-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.06
Rot. Bonds8

About N-[1-[3-(benzimidazol-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide

N-[1-[3-(benzimidazol-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide (PubChem CID 51222009) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is N-[1-[3-(benzimidazol-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(benzimidazol-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
PubChem CID51222009
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC NameN-[1-[3-(benzimidazol-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
SMILESCC(C)C(NC(=O)c1cccs1)C(=O)NCCCn1cnc2ccccc21
InChIInChI=1S/C20H24N4O2S/c1-14(2)18(23-19(25)17-9-5-12-27-17)20(26)21-10-6-11-24-13-22-15-7-3-4-8-16(15)24/h3-5,7-9,12-14,18H,6,10-11H2,1-2H3,(H,21,26)(H,23,25)
InChIKeyWBWPJEFBZDAVCS-UHFFFAOYSA-N
XLogP3.06
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[3-(benzimidazol-1-yl)propyl]-3-methylbutanamide
CID 61247629
N-[2-(benzimidazol-1-yl)ethyl]thiophene-2-carboxamide
CID 51091236
N-[(2S)-3-methyl-1-[(1-methylbenzimidazol-2-yl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 51729314
N-[3-methyl-1-[3-(methylamino)propylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 119432694
N-[1-(2-aminoethylamino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 119384385
N-[(2S)-1-[3-(1H-benzimidazol-2-yl)propylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 30360173
5-[3-(benzimidazol-1-yl)propylamino]-5-oxo-3-thiophen-2-ylpentanoic acid
CID 91953280
N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 51221587
benzyl N-[(2S,3S)-1-[3-(benzimidazol-1-yl)propylamino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 55937819
N-[(2S)-3-methyl-1-[3-(N-methylanilino)propylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 52524654
N-[(2R)-1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 27161634
N-[1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 42919417

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(benzimidazol-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[3-(benzimidazol-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide (CID 51222009) is N-[1-[3-(benzimidazol-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[3-(benzimidazol-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[3-(benzimidazol-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide is CC(C)C(NC(=O)c1cccs1)C(=O)NCCCn1cnc2ccccc21.
What is the InChIKey of N-[1-[3-(benzimidazol-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?
The InChIKey is WBWPJEFBZDAVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-14(2)18(23-19(25)17-9-5-12-27-17)20(26)21-10-6-11-24-13-22-15-7-3-4-8-16(15)24/h3-5,7-9,12-14,18H,6,10-11H2,1-2H3,(H,21,26)(H,23,25).
What are the key properties of N-[1-[3-(benzimidazol-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?
N-[1-[3-(benzimidazol-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide has a molecular weight of 384.51 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(benzimidazol-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 51222009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).