N-(1H-benzimidazol-2-yl)-5-[(2S)-1-propanoylpyrrolidin-2-yl]thiophene-2-carboxamide

C19H20N4O2S — CID 28642143

IUPACN-(1H-benzimidazol-2-yl)-5-[(2S)-1-propanoylpyrrolidin-2-yl]thiophene-2-carboxamide
SMILESCCC(=O)N1CCC[C@H]1c1ccc(C(=O)Nc2nc3ccccc3[nH]2)s1
InChIInChI=1S/C19H20N4O2S/c1-2-17(24)23-11-5-8-14(23)15-9-10-16(26-15)18(25)22-19-20-12-6-3-4-7-13(12)21-19/h3-4,6-7,9-10,14H,2,5,8,11H2,1H3,(H2,20,21,22,25)/t14-/m0/s1
InChIKeyBNFXPLXFXODDGD-AWEZNQCLSA-N
MW368.46 g/mol
LogP3.95
Rot. Bonds4

About N-(1H-benzimidazol-2-yl)-5-[(2S)-1-propanoylpyrrolidin-2-yl]thiophene-2-carboxamide

N-(1H-benzimidazol-2-yl)-5-[(2S)-1-propanoylpyrrolidin-2-yl]thiophene-2-carboxamide (PubChem CID 28642143) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-5-[(2S)-1-propanoylpyrrolidin-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-5-[(2S)-1-propanoylpyrrolidin-2-yl]thiophene-2-carboxamide
PubChem CID28642143
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-(1H-benzimidazol-2-yl)-5-[(2S)-1-propanoylpyrrolidin-2-yl]thiophene-2-carboxamide
SMILESCCC(=O)N1CCC[C@H]1c1ccc(C(=O)Nc2nc3ccccc3[nH]2)s1
InChIInChI=1S/C19H20N4O2S/c1-2-17(24)23-11-5-8-14(23)15-9-10-16(26-15)18(25)22-19-20-12-6-3-4-7-13(12)21-19/h3-4,6-7,9-10,14H,2,5,8,11H2,1H3,(H2,20,21,22,25)/t14-/m0/s1
InChIKeyBNFXPLXFXODDGD-AWEZNQCLSA-N
XLogP3.95
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2S)-1-propanoylpyrrolidin-2-yl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)thiophene-2-carboxamide
CID 92556707
1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 95807203
N-(1H-pyrazol-5-yl)-5-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45191304
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 43841790
N-[2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 25405874
1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2-ethoxyphenoxy)ethanone
CID 25405008
N-[2-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 25405873
N-[2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dimethylbenzamide
CID 25344686
5-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-(2-methyl-1-benzofuran-5-yl)thiophene-2-carboxamide
CID 45169433
1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 92576442
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 110225725
4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 110205528

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-5-[(2S)-1-propanoylpyrrolidin-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-5-[(2S)-1-propanoylpyrrolidin-2-yl]thiophene-2-carboxamide (CID 28642143) is N-(1H-benzimidazol-2-yl)-5-[(2S)-1-propanoylpyrrolidin-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-5-[(2S)-1-propanoylpyrrolidin-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-5-[(2S)-1-propanoylpyrrolidin-2-yl]thiophene-2-carboxamide is CCC(=O)N1CCC[C@H]1c1ccc(C(=O)Nc2nc3ccccc3[nH]2)s1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-5-[(2S)-1-propanoylpyrrolidin-2-yl]thiophene-2-carboxamide?
The InChIKey is BNFXPLXFXODDGD-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-2-17(24)23-11-5-8-14(23)15-9-10-16(26-15)18(25)22-19-20-12-6-3-4-7-13(12)21-19/h3-4,6-7,9-10,14H,2,5,8,11H2,1H3,(H2,20,21,22,25)/t14-/m0/s1.
What are the key properties of N-(1H-benzimidazol-2-yl)-5-[(2S)-1-propanoylpyrrolidin-2-yl]thiophene-2-carboxamide?
N-(1H-benzimidazol-2-yl)-5-[(2S)-1-propanoylpyrrolidin-2-yl]thiophene-2-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-5-[(2S)-1-propanoylpyrrolidin-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 28642143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).