(2R)-2-(1H-benzimidazol-2-yl)-1-propanoylpyrrolidine-2-carboxamide

C15H18N4O2 — CID 69260201

IUPAC(2R)-2-(1H-benzimidazol-2-yl)-1-propanoylpyrrolidine-2-carboxamide
SMILESCCC(=O)N1CCC[C@]1(C(N)=O)c1nc2ccccc2[nH]1
InChIInChI=1S/C15H18N4O2/c1-2-12(20)19-9-5-8-15(19,13(16)21)14-17-10-6-3-4-7-11(10)18-14/h3-4,6-7H,2,5,8-9H2,1H3,(H2,16,21)(H,17,18)/t15-/m0/s1
InChIKeyWZYASTRWAGXAON-HNNXBMFYSA-N
MW286.33 g/mol
LogP1.28
Rot. Bonds3

About (2R)-2-(1H-benzimidazol-2-yl)-1-propanoylpyrrolidine-2-carboxamide

(2R)-2-(1H-benzimidazol-2-yl)-1-propanoylpyrrolidine-2-carboxamide (PubChem CID 69260201) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2R)-2-(1H-benzimidazol-2-yl)-1-propanoylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-2-(1H-benzimidazol-2-yl)-1-propanoylpyrrolidine-2-carboxamide
PubChem CID69260201
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name(2R)-2-(1H-benzimidazol-2-yl)-1-propanoylpyrrolidine-2-carboxamide
SMILESCCC(=O)N1CCC[C@]1(C(N)=O)c1nc2ccccc2[nH]1
InChIInChI=1S/C15H18N4O2/c1-2-12(20)19-9-5-8-15(19,13(16)21)14-17-10-6-3-4-7-11(10)18-14/h3-4,6-7H,2,5,8-9H2,1H3,(H2,16,21)(H,17,18)/t15-/m0/s1
InChIKeyWZYASTRWAGXAON-HNNXBMFYSA-N
XLogP1.28
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
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1-[2-(1H-benzimidazol-2-yl)acetyl]-3-methylpiperidine-3-carboxylic acid
CID 77085622
2-(2-propylpyrrolidin-2-yl)-1H-benzimidazole
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2-(1-fluorocyclopropyl)-1H-benzimidazole
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2-(2-methylazetidin-2-yl)-1H-benzimidazole
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3-[3-(4-butanoylpiperazin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
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1-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]ethanone;oxalic acid
CID 121074357

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1H-benzimidazol-2-yl)-1-propanoylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-2-(1H-benzimidazol-2-yl)-1-propanoylpyrrolidine-2-carboxamide (CID 69260201) is (2R)-2-(1H-benzimidazol-2-yl)-1-propanoylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-2-(1H-benzimidazol-2-yl)-1-propanoylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-2-(1H-benzimidazol-2-yl)-1-propanoylpyrrolidine-2-carboxamide is CCC(=O)N1CCC[C@]1(C(N)=O)c1nc2ccccc2[nH]1.
What is the InChIKey of (2R)-2-(1H-benzimidazol-2-yl)-1-propanoylpyrrolidine-2-carboxamide?
The InChIKey is WZYASTRWAGXAON-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-2-12(20)19-9-5-8-15(19,13(16)21)14-17-10-6-3-4-7-11(10)18-14/h3-4,6-7H,2,5,8-9H2,1H3,(H2,16,21)(H,17,18)/t15-/m0/s1.
What are the key properties of (2R)-2-(1H-benzimidazol-2-yl)-1-propanoylpyrrolidine-2-carboxamide?
(2R)-2-(1H-benzimidazol-2-yl)-1-propanoylpyrrolidine-2-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1H-benzimidazol-2-yl)-1-propanoylpyrrolidine-2-carboxamide is sourced from PubChem (CID 69260201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).