(2R)-1-[(1-methylimidazol-2-yl)methyl]-N-[3-(3-methylphenyl)phenyl]pyrrolidine-2-carboxamide

C23H26N4O — CID 42515252

IUPAC(2R)-1-[(1-methylimidazol-2-yl)methyl]-N-[3-(3-methylphenyl)phenyl]pyrrolidine-2-carboxamide
SMILESCc1cccc(-c2cccc(NC(=O)[C@H]3CCCN3Cc3nccn3C)c2)c1
InChIInChI=1S/C23H26N4O/c1-17-6-3-7-18(14-17)19-8-4-9-20(15-19)25-23(28)21-10-5-12-27(21)16-22-24-11-13-26(22)2/h3-4,6-9,11,13-15,21H,5,10,12,16H2,1-2H3,(H,25,28)/t21-/m1/s1
InChIKeyMRGQVHWNICZBBR-OAQYLSRUSA-N
MW374.49 g/mol
LogP4.00
Rot. Bonds5

About (2R)-1-[(1-methylimidazol-2-yl)methyl]-N-[3-(3-methylphenyl)phenyl]pyrrolidine-2-carboxamide

(2R)-1-[(1-methylimidazol-2-yl)methyl]-N-[3-(3-methylphenyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 42515252) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is (2R)-1-[(1-methylimidazol-2-yl)methyl]-N-[3-(3-methylphenyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[(1-methylimidazol-2-yl)methyl]-N-[3-(3-methylphenyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID42515252
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name(2R)-1-[(1-methylimidazol-2-yl)methyl]-N-[3-(3-methylphenyl)phenyl]pyrrolidine-2-carboxamide
SMILESCc1cccc(-c2cccc(NC(=O)[C@H]3CCCN3Cc3nccn3C)c2)c1
InChIInChI=1S/C23H26N4O/c1-17-6-3-7-18(14-17)19-8-4-9-20(15-19)25-23(28)21-10-5-12-27(21)16-22-24-11-13-26(22)2/h3-4,6-9,11,13-15,21H,5,10,12,16H2,1-2H3,(H,25,28)/t21-/m1/s1
InChIKeyMRGQVHWNICZBBR-OAQYLSRUSA-N
XLogP4.00
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-methylimidazol-2-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 45191571
1-[(1-methylimidazol-2-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 45243042
(2R)-N-[2-(4-methoxyphenyl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 25287412
(2S)-N-[3-(3-methylphenyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 25365977
(2R)-1-[(4-fluorophenyl)methyl]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide
CID 95786825
(2S)-N-[3-(1,3-oxazol-2-yl)phenyl]-1-propylpyrrolidine-2-carboxamide
CID 97098726
(2R)-N-[3-(3-methylphenyl)phenyl]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide
CID 42461345
N-[3-(3-methylphenyl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide
CID 45253222
(2R)-1-[(2,3-dimethylimidazol-4-yl)methyl]-N-[4-(3-fluorophenyl)phenyl]pyrrolidine-2-carboxamide
CID 25274414
N-[4-(3-fluorophenyl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidine-2-carboxamide
CID 45213408
2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-6-(3-methylphenyl)pyridine
CID 110249834
N-[3-(4-fluorophenyl)phenyl]-1-[[5-(hydroxymethyl)furan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 45177772

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(1-methylimidazol-2-yl)methyl]-N-[3-(3-methylphenyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[(1-methylimidazol-2-yl)methyl]-N-[3-(3-methylphenyl)phenyl]pyrrolidine-2-carboxamide (CID 42515252) is (2R)-1-[(1-methylimidazol-2-yl)methyl]-N-[3-(3-methylphenyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[(1-methylimidazol-2-yl)methyl]-N-[3-(3-methylphenyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[(1-methylimidazol-2-yl)methyl]-N-[3-(3-methylphenyl)phenyl]pyrrolidine-2-carboxamide is Cc1cccc(-c2cccc(NC(=O)[C@H]3CCCN3Cc3nccn3C)c2)c1.
What is the InChIKey of (2R)-1-[(1-methylimidazol-2-yl)methyl]-N-[3-(3-methylphenyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is MRGQVHWNICZBBR-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H26N4O/c1-17-6-3-7-18(14-17)19-8-4-9-20(15-19)25-23(28)21-10-5-12-27(21)16-22-24-11-13-26(22)2/h3-4,6-9,11,13-15,21H,5,10,12,16H2,1-2H3,(H,25,28)/t21-/m1/s1.
What are the key properties of (2R)-1-[(1-methylimidazol-2-yl)methyl]-N-[3-(3-methylphenyl)phenyl]pyrrolidine-2-carboxamide?
(2R)-1-[(1-methylimidazol-2-yl)methyl]-N-[3-(3-methylphenyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(1-methylimidazol-2-yl)methyl]-N-[3-(3-methylphenyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 42515252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).