(2S)-1-acetyl-N-(1-methyl-4-phenylimidazol-2-yl)pyrrolidine-2-carboxamide

C17H20N4O2 — CID 167798698

IUPAC(2S)-1-acetyl-N-(1-methyl-4-phenylimidazol-2-yl)pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCC[C@H]1C(=O)Nc1nc(-c2ccccc2)cn1C
InChIInChI=1S/C17H20N4O2/c1-12(22)21-10-6-9-15(21)16(23)19-17-18-14(11-20(17)2)13-7-4-3-5-8-13/h3-5,7-8,11,15H,6,9-10H2,1-2H3,(H,18,19,23)/t15-/m0/s1
InChIKeyHERGQLKOJJAGOI-HNNXBMFYSA-N
MW312.37 g/mol
LogP2.04
Rot. Bonds3

About (2S)-1-acetyl-N-(1-methyl-4-phenylimidazol-2-yl)pyrrolidine-2-carboxamide

(2S)-1-acetyl-N-(1-methyl-4-phenylimidazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 167798698) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is (2S)-1-acetyl-N-(1-methyl-4-phenylimidazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-acetyl-N-(1-methyl-4-phenylimidazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID167798698
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name(2S)-1-acetyl-N-(1-methyl-4-phenylimidazol-2-yl)pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCC[C@H]1C(=O)Nc1nc(-c2ccccc2)cn1C
InChIInChI=1S/C17H20N4O2/c1-12(22)21-10-6-9-15(21)16(23)19-17-18-14(11-20(17)2)13-7-4-3-5-8-13/h3-5,7-8,11,15H,6,9-10H2,1-2H3,(H,18,19,23)/t15-/m0/s1
InChIKeyHERGQLKOJJAGOI-HNNXBMFYSA-N
XLogP2.04
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-2-carboxamide
CID 157012055
2-[2-[(1-acetylpyrrolidine-2-carbonyl)amino]phenyl]acetic acid
CID 119353114
1-acetyl-N-[4-[3-[4-[(1-acetylpyrrolidine-2-carbonyl)amino]phenyl]-1H-pyrazol-5-yl]phenyl]pyrrolidine-2-carboxamide
CID 172736681
(2S)-1-acetyl-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 51089557
1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide
CID 91091124
(2S)-1-acetyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 784723
(2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-2-phenylacetic acid
CID 124682814
(2S)-1-acetyl-N-[4-[5-[4-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 53302967
(2S)-1-N-propan-2-yl-2-N-(1-propylbenzimidazol-2-yl)pyrrolidine-1,2-dicarboxamide
CID 136580553
(2R)-1-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide
CID 2318282
N-(4-methyl-1,3-thiazol-2-yl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47717847
(2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide
CID 94162909

Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-N-(1-methyl-4-phenylimidazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-acetyl-N-(1-methyl-4-phenylimidazol-2-yl)pyrrolidine-2-carboxamide (CID 167798698) is (2S)-1-acetyl-N-(1-methyl-4-phenylimidazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-acetyl-N-(1-methyl-4-phenylimidazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-acetyl-N-(1-methyl-4-phenylimidazol-2-yl)pyrrolidine-2-carboxamide is CC(=O)N1CCC[C@H]1C(=O)Nc1nc(-c2ccccc2)cn1C.
What is the InChIKey of (2S)-1-acetyl-N-(1-methyl-4-phenylimidazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is HERGQLKOJJAGOI-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12(22)21-10-6-9-15(21)16(23)19-17-18-14(11-20(17)2)13-7-4-3-5-8-13/h3-5,7-8,11,15H,6,9-10H2,1-2H3,(H,18,19,23)/t15-/m0/s1.
What are the key properties of (2S)-1-acetyl-N-(1-methyl-4-phenylimidazol-2-yl)pyrrolidine-2-carboxamide?
(2S)-1-acetyl-N-(1-methyl-4-phenylimidazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-N-(1-methyl-4-phenylimidazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 167798698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).