1-(3H-benzimidazole-5-carbonyl)pyrrolidine-2-carboxamide

C13H14N4O2 — CID 43582965

IUPAC1-(3H-benzimidazole-5-carbonyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C13H14N4O2/c14-12(18)11-2-1-5-17(11)13(19)8-3-4-9-10(6-8)16-7-15-9/h3-4,6-7,11H,1-2,5H2,(H2,14,18)(H,15,16)
InChIKeyXMWKKDNFUSZHDO-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.65
Rot. Bonds2

About 1-(3H-benzimidazole-5-carbonyl)pyrrolidine-2-carboxamide

1-(3H-benzimidazole-5-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 43582965) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-(3H-benzimidazole-5-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3H-benzimidazole-5-carbonyl)pyrrolidine-2-carboxamide
PubChem CID43582965
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name1-(3H-benzimidazole-5-carbonyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C13H14N4O2/c14-12(18)11-2-1-5-17(11)13(19)8-3-4-9-10(6-8)16-7-15-9/h3-4,6-7,11H,1-2,5H2,(H2,14,18)(H,15,16)
InChIKeyXMWKKDNFUSZHDO-UHFFFAOYSA-N
XLogP0.65
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3H-benzimidazol-5-yl-(2-methylpiperidin-1-yl)methanone
CID 18847477
1-(1H-indole-5-carbonyl)pyrrolidine-2-carboxamide
CID 63723246
1-(3H-benzimidazole-5-carbonyl)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridine-6-carboxamide
CID 67224212
(3-aminopiperidin-1-yl)-(3H-benzimidazol-5-yl)methanone
CID 61296468
1-(2-oxo-1H-pyridine-4-carbonyl)pyrrolidine-2-carboxamide
CID 103765202
3H-benzimidazol-5-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 43421691
1-(3H-benzimidazole-5-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114421792
3H-benzimidazol-5-yl-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone
CID 47066259
[(4aS,10bS)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(3H-benzimidazol-5-yl)methanone
CID 52933602
3H-benzimidazol-5-yl-[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methanone
CID 95629049
3H-benzimidazol-5-yl-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95607686
(4aS,9aR)-1-(3H-benzimidazole-5-carbonyl)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridine-6-carboxylic acid
CID 67223016

Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazole-5-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(3H-benzimidazole-5-carbonyl)pyrrolidine-2-carboxamide (CID 43582965) is 1-(3H-benzimidazole-5-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3H-benzimidazole-5-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3H-benzimidazole-5-carbonyl)pyrrolidine-2-carboxamide is NC(=O)C1CCCN1C(=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of 1-(3H-benzimidazole-5-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is XMWKKDNFUSZHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c14-12(18)11-2-1-5-17(11)13(19)8-3-4-9-10(6-8)16-7-15-9/h3-4,6-7,11H,1-2,5H2,(H2,14,18)(H,15,16).
What are the key properties of 1-(3H-benzimidazole-5-carbonyl)pyrrolidine-2-carboxamide?
1-(3H-benzimidazole-5-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazole-5-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 43582965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).