2-[(3S)-1-acetylpyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide

C14H16N4O2 — CID 51137901

IUPAC2-[(3S)-1-acetylpyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide
SMILESCC(=O)N1CC[C@H](c2nc3c(C(N)=O)cccc3[nH]2)C1
InChIInChI=1S/C14H16N4O2/c1-8(19)18-6-5-9(7-18)14-16-11-4-2-3-10(13(15)20)12(11)17-14/h2-4,9H,5-7H2,1H3,(H2,15,20)(H,16,17)/t9-/m0/s1
InChIKeyDNKLFYAEOMZIRO-VIFPVBQESA-N
MW272.31 g/mol
LogP1.00
Rot. Bonds2

About 2-[(3S)-1-acetylpyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide

2-[(3S)-1-acetylpyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide (PubChem CID 51137901) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-[(3S)-1-acetylpyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[(3S)-1-acetylpyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide
PubChem CID51137901
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name2-[(3S)-1-acetylpyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide
SMILESCC(=O)N1CC[C@H](c2nc3c(C(N)=O)cccc3[nH]2)C1
InChIInChI=1S/C14H16N4O2/c1-8(19)18-6-5-9(7-18)14-16-11-4-2-3-10(13(15)20)12(11)17-14/h2-4,9H,5-7H2,1H3,(H2,15,20)(H,16,17)/t9-/m0/s1
InChIKeyDNKLFYAEOMZIRO-VIFPVBQESA-N
XLogP1.00
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-acetylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide
CID 18428045
2-(1-acetylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide
CID 18428036
2-[(3S)-1-methylpyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide
CID 51137868
2-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide
CID 18428049
2-[(3S)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide
CID 51137873
2-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide
CID 51137872
2-(4-methoxycyclohexyl)-1H-benzimidazole-4-carboxamide
CID 10221158
2-(azepan-4-yl)-1H-benzimidazole-4-carboxamide
CID 25190722
2-(4-phenylcyclohexyl)-1H-benzimidazole-4-carboxamide
CID 22718147
2-[1-(benzenesulfonyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide
CID 25190740
2-(1-propylpiperidin-2-yl)-1H-benzimidazole-4-carboxamide
CID 25190747
2-[(3S)-1-acetylpyrrolidin-3-yl]-3H-benzimidazole-5-carbonitrile
CID 51137025

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-acetylpyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[(3S)-1-acetylpyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide (CID 51137901) is 2-[(3S)-1-acetylpyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[(3S)-1-acetylpyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[(3S)-1-acetylpyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide is CC(=O)N1CC[C@H](c2nc3c(C(N)=O)cccc3[nH]2)C1.
What is the InChIKey of 2-[(3S)-1-acetylpyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide?
The InChIKey is DNKLFYAEOMZIRO-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16N4O2/c1-8(19)18-6-5-9(7-18)14-16-11-4-2-3-10(13(15)20)12(11)17-14/h2-4,9H,5-7H2,1H3,(H2,15,20)(H,16,17)/t9-/m0/s1.
What are the key properties of 2-[(3S)-1-acetylpyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide?
2-[(3S)-1-acetylpyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-acetylpyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 51137901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).