1-(3-aminophenyl)-4-[3-methyl-5-[(2-methylimidazol-1-yl)methyl]-2,3-dihydroindole-1-carbonyl]pyrrolidin-2-one

C25H27N5O2 — CID 123981167

IUPAC1-(3-aminophenyl)-4-[3-methyl-5-[(2-methylimidazol-1-yl)methyl]-2,3-dihydroindole-1-carbonyl]pyrrolidin-2-one
SMILESCc1nccn1Cc1ccc2c(c1)C(C)CN2C(=O)C1CC(=O)N(c2cccc(N)c2)C1
InChIInChI=1S/C25H27N5O2/c1-16-13-30(23-7-6-18(10-22(16)23)14-28-9-8-27-17(28)2)25(32)19-11-24(31)29(15-19)21-5-3-4-20(26)12-21/h3-10,12,16,19H,11,13-15,26H2,1-2H3
InChIKeyPABXFXCLDKZNMO-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.33
Rot. Bonds4

About 1-(3-aminophenyl)-4-[3-methyl-5-[(2-methylimidazol-1-yl)methyl]-2,3-dihydroindole-1-carbonyl]pyrrolidin-2-one

1-(3-aminophenyl)-4-[3-methyl-5-[(2-methylimidazol-1-yl)methyl]-2,3-dihydroindole-1-carbonyl]pyrrolidin-2-one (PubChem CID 123981167) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 1-(3-aminophenyl)-4-[3-methyl-5-[(2-methylimidazol-1-yl)methyl]-2,3-dihydroindole-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-aminophenyl)-4-[3-methyl-5-[(2-methylimidazol-1-yl)methyl]-2,3-dihydroindole-1-carbonyl]pyrrolidin-2-one
PubChem CID123981167
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Name1-(3-aminophenyl)-4-[3-methyl-5-[(2-methylimidazol-1-yl)methyl]-2,3-dihydroindole-1-carbonyl]pyrrolidin-2-one
SMILESCc1nccn1Cc1ccc2c(c1)C(C)CN2C(=O)C1CC(=O)N(c2cccc(N)c2)C1
InChIInChI=1S/C25H27N5O2/c1-16-13-30(23-7-6-18(10-22(16)23)14-28-9-8-27-17(28)2)25(32)19-11-24(31)29(15-19)21-5-3-4-20(26)12-21/h3-10,12,16,19H,11,13-15,26H2,1-2H3
InChIKeyPABXFXCLDKZNMO-UHFFFAOYSA-N
XLogP3.33
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-aminophenyl)-4-[3-methyl-5-(2-pyrimidin-5-ylethyl)-2,3-dihydroindole-1-carbonyl]pyrrolidin-2-one
CID 123969055
1-(3-aminophenyl)-4-[3,3-dimethyl-5-(pyridin-4-ylmethyl)-2H-indole-1-carbonyl]pyrrolidin-2-one
CID 123777089
3-[(4S)-2-oxo-4-[3,3,4-trimethyl-5-[(2-methylimidazol-1-yl)methyl]-2H-indole-1-carbonyl]pyrrolidin-1-yl]benzonitrile
CID 74222260
1-(3-aminophenyl)-4-[5-(morpholin-4-ylmethyl)-2,3-dihydroindole-1-carbonyl]pyrrolidin-2-one
CID 123603655
methyl 3-[[1-[1-(3-aminophenyl)-5-oxopyrrolidine-3-carbonyl]-3,3-dimethyl-2H-indol-5-yl]methyl]imidazole-4-carboxylate
CID 123577417
1-(3-aminophenyl)-4-[3,3-dimethyl-5-(2-phenylethyl)-2H-indole-1-carbonyl]pyrrolidin-2-one
CID 123411124
(3R)-1-(3-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 94076150
1-(3-chlorophenyl)-4-[5-(imidazol-1-ylmethyl)-3,3-dimethyl-2H-indole-1-carbonyl]pyrrolidin-2-one
CID 123647441
4-[4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 90493122
1-(3-methoxyphenyl)-4-[4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 90493015
(4S)-1-(3-aminophenyl)-4-[6-chloro-5-(2-imidazol-1-ylethyl)-3,3-dimethyl-2H-indole-1-carbonyl]pyrrolidin-2-one
CID 144619835
(3S)-1-[3-[(4R)-4-carbamoyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94076238

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-4-[3-methyl-5-[(2-methylimidazol-1-yl)methyl]-2,3-dihydroindole-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(3-aminophenyl)-4-[3-methyl-5-[(2-methylimidazol-1-yl)methyl]-2,3-dihydroindole-1-carbonyl]pyrrolidin-2-one (CID 123981167) is 1-(3-aminophenyl)-4-[3-methyl-5-[(2-methylimidazol-1-yl)methyl]-2,3-dihydroindole-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(3-aminophenyl)-4-[3-methyl-5-[(2-methylimidazol-1-yl)methyl]-2,3-dihydroindole-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(3-aminophenyl)-4-[3-methyl-5-[(2-methylimidazol-1-yl)methyl]-2,3-dihydroindole-1-carbonyl]pyrrolidin-2-one is Cc1nccn1Cc1ccc2c(c1)C(C)CN2C(=O)C1CC(=O)N(c2cccc(N)c2)C1.
What is the InChIKey of 1-(3-aminophenyl)-4-[3-methyl-5-[(2-methylimidazol-1-yl)methyl]-2,3-dihydroindole-1-carbonyl]pyrrolidin-2-one?
The InChIKey is PABXFXCLDKZNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-16-13-30(23-7-6-18(10-22(16)23)14-28-9-8-27-17(28)2)25(32)19-11-24(31)29(15-19)21-5-3-4-20(26)12-21/h3-10,12,16,19H,11,13-15,26H2,1-2H3.
What are the key properties of 1-(3-aminophenyl)-4-[3-methyl-5-[(2-methylimidazol-1-yl)methyl]-2,3-dihydroindole-1-carbonyl]pyrrolidin-2-one?
1-(3-aminophenyl)-4-[3-methyl-5-[(2-methylimidazol-1-yl)methyl]-2,3-dihydroindole-1-carbonyl]pyrrolidin-2-one has a molecular weight of 429.52 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-4-[3-methyl-5-[(2-methylimidazol-1-yl)methyl]-2,3-dihydroindole-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 123981167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).