3-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-4-oxo-2-phenylimidazolidine-1-carboxamide

C23H26N4O3 — CID 166202579

IUPAC3-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-4-oxo-2-phenylimidazolidine-1-carboxamide
SMILESCc1c(NC(=O)N2CC(=O)N(C)C2c2ccccc2)cccc1C(=O)N1CCCC1
InChIInChI=1S/C23H26N4O3/c1-16-18(22(29)26-13-6-7-14-26)11-8-12-19(16)24-23(30)27-15-20(28)25(2)21(27)17-9-4-3-5-10-17/h3-5,8-12,21H,6-7,13-15H2,1-2H3,(H,24,30)
InChIKeyMKDGTNSLKXCXFO-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.24
Rot. Bonds3

About 3-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-4-oxo-2-phenylimidazolidine-1-carboxamide

3-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-4-oxo-2-phenylimidazolidine-1-carboxamide (PubChem CID 166202579) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 3-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-4-oxo-2-phenylimidazolidine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-4-oxo-2-phenylimidazolidine-1-carboxamide
PubChem CID166202579
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name3-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-4-oxo-2-phenylimidazolidine-1-carboxamide
SMILESCc1c(NC(=O)N2CC(=O)N(C)C2c2ccccc2)cccc1C(=O)N1CCCC1
InChIInChI=1S/C23H26N4O3/c1-16-18(22(29)26-13-6-7-14-26)11-8-12-19(16)24-23(30)27-15-20(28)25(2)21(27)17-9-4-3-5-10-17/h3-5,8-12,21H,6-7,13-15H2,1-2H3,(H,24,30)
InChIKeyMKDGTNSLKXCXFO-UHFFFAOYSA-N
XLogP3.24
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-methyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-2-phenylimidazolidine-1-carboxamide
CID 99801968
(2R)-2-(hydroxymethyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide
CID 97283810
3-[(3,4-dimethylpiperazine-1-carbonyl)amino]-2-methylbenzoic acid
CID 63604057
3-[(2,4-dimethylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid
CID 62947768
3-amino-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119310023
4-amino-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]pentanamide
CID 120561704
2-cyano-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 168521727
3-amino-2-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-phenylpropanamide;hydrochloride
CID 119760322
3-bromo-2-methylbenzoic acid;(3-bromo-2-methylphenyl)-pyrrolidin-1-ylmethanone;cyclopentane
CID 160501593
4-(1H-benzimidazol-2-yl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide
CID 166205070
2-(4-aminophenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 119760315
2-benzyl-4-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide
CID 52815770

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-4-oxo-2-phenylimidazolidine-1-carboxamide?
The IUPAC name of 3-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-4-oxo-2-phenylimidazolidine-1-carboxamide (CID 166202579) is 3-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-4-oxo-2-phenylimidazolidine-1-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-4-oxo-2-phenylimidazolidine-1-carboxamide?
The canonical SMILES for 3-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-4-oxo-2-phenylimidazolidine-1-carboxamide is Cc1c(NC(=O)N2CC(=O)N(C)C2c2ccccc2)cccc1C(=O)N1CCCC1.
What is the InChIKey of 3-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-4-oxo-2-phenylimidazolidine-1-carboxamide?
The InChIKey is MKDGTNSLKXCXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-16-18(22(29)26-13-6-7-14-26)11-8-12-19(16)24-23(30)27-15-20(28)25(2)21(27)17-9-4-3-5-10-17/h3-5,8-12,21H,6-7,13-15H2,1-2H3,(H,24,30).
What are the key properties of 3-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-4-oxo-2-phenylimidazolidine-1-carboxamide?
3-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-4-oxo-2-phenylimidazolidine-1-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-4-oxo-2-phenylimidazolidine-1-carboxamide is sourced from PubChem (CID 166202579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).