2-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide

C23H27N5O2 — CID 142246680

IUPAC2-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCc1ccc(NC(=O)N2CCCC2C(=O)Nc2ccc(C3=NCCN3C)cc2)cc1
InChIInChI=1S/C23H27N5O2/c1-16-5-9-19(10-6-16)26-23(30)28-14-3-4-20(28)22(29)25-18-11-7-17(8-12-18)21-24-13-15-27(21)2/h5-12,20H,3-4,13-15H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyIARLDFZZJZBTST-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.32
Rot. Bonds4

About 2-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide

2-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 142246680) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID142246680
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name2-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCc1ccc(NC(=O)N2CCCC2C(=O)Nc2ccc(C3=NCCN3C)cc2)cc1
InChIInChI=1S/C23H27N5O2/c1-16-5-9-19(10-6-16)26-23(30)28-14-3-4-20(28)22(29)25-18-11-7-17(8-12-18)21-24-13-15-27(21)2/h5-12,20H,3-4,13-15H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyIARLDFZZJZBTST-UHFFFAOYSA-N
XLogP3.32
TPSA77.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-N-(3,4-dimethylphenyl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 51684738
(2S)-1-acetyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 784723
(2S)-2-N,2-N-dimethyl-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 95051495
(2R)-2-N-(2-methylbutan-2-yl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468668
1-methyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 110856789
(2R)-2-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1445811
2-N-(cyclohexylmethyl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3221241
1-N-benzyl-2-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219635
(2R)-2-N-(4-acetamidophenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468944
(2R)-1-N-(4-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1445832
2-N-(4-fluorophenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 43814809
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 644827

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide (CID 142246680) is 2-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide is Cc1ccc(NC(=O)N2CCCC2C(=O)Nc2ccc(C3=NCCN3C)cc2)cc1.
What is the InChIKey of 2-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is IARLDFZZJZBTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-16-5-9-19(10-6-16)26-23(30)28-14-3-4-20(28)22(29)25-18-11-7-17(8-12-18)21-24-13-15-27(21)2/h5-12,20H,3-4,13-15H2,1-2H3,(H,25,29)(H,26,30).
What are the key properties of 2-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide?
2-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 142246680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).