(2S)-2-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide

C17H21N5O2 — CID 131915667

IUPAC(2S)-2-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide
SMILESCc1nccn1-c1ccc(CNC(=O)[C@@H]2CCCN2C(N)=O)cc1
InChIInChI=1S/C17H21N5O2/c1-12-19-8-10-21(12)14-6-4-13(5-7-14)11-20-16(23)15-3-2-9-22(15)17(18)24/h4-8,10,15H,2-3,9,11H2,1H3,(H2,18,24)(H,20,23)/t15-/m0/s1
InChIKeyGSNBMYXOGKFGKF-HNNXBMFYSA-N
MW327.39 g/mol
LogP1.34
Rot. Bonds4

About (2S)-2-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide

(2S)-2-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 131915667) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is (2S)-2-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-2-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide
PubChem CID131915667
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name(2S)-2-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide
SMILESCc1nccn1-c1ccc(CNC(=O)[C@@H]2CCCN2C(N)=O)cc1
InChIInChI=1S/C17H21N5O2/c1-12-19-8-10-21(12)14-6-4-13(5-7-14)11-20-16(23)15-3-2-9-22(15)17(18)24/h4-8,10,15H,2-3,9,11H2,1H3,(H2,18,24)(H,20,23)/t15-/m0/s1
InChIKeyGSNBMYXOGKFGKF-HNNXBMFYSA-N
XLogP1.34
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 50874520
(3S)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 95118696
1-ethylsulfonyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 50945213
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 43907556
1-(4-fluorophenyl)sulfonyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 133168237
(2S)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 47066876
(2S)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125441211
1-[(4-bromophenyl)methylsulfonyl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine-4-carboxamide
CID 43915483
1-N-cyclohexyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 3219738
(2S)-2-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 74250640
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 46778775
N-[4-(2-methylimidazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide
CID 45245345

Frequently Asked Questions

What is the IUPAC name of (2S)-2-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-2-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide (CID 131915667) is (2S)-2-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-2-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-2-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide is Cc1nccn1-c1ccc(CNC(=O)[C@@H]2CCCN2C(N)=O)cc1.
What is the InChIKey of (2S)-2-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is GSNBMYXOGKFGKF-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-12-19-8-10-21(12)14-6-4-13(5-7-14)11-20-16(23)15-3-2-9-22(15)17(18)24/h4-8,10,15H,2-3,9,11H2,1H3,(H2,18,24)(H,20,23)/t15-/m0/s1.
What are the key properties of (2S)-2-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide?
(2S)-2-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 131915667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).