N-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-3-phenyl-2,3-dihydroindole-1-carboxamide

C26H24N4O3 — CID 167801688

IUPACN-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-3-phenyl-2,3-dihydroindole-1-carboxamide
SMILESCC1(c2ccc(CNC(=O)N3CC(c4ccccc4)c4ccccc43)cc2)NC(=O)NC1=O
InChIInChI=1S/C26H24N4O3/c1-26(23(31)28-24(32)29-26)19-13-11-17(12-14-19)15-27-25(33)30-16-21(18-7-3-2-4-8-18)20-9-5-6-10-22(20)30/h2-14,21H,15-16H2,1H3,(H,27,33)(H2,28,29,31,32)
InChIKeyJRYHZZCOJNBPDM-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.60
Rot. Bonds4

About N-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-3-phenyl-2,3-dihydroindole-1-carboxamide

N-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-3-phenyl-2,3-dihydroindole-1-carboxamide (PubChem CID 167801688) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is N-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-3-phenyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-3-phenyl-2,3-dihydroindole-1-carboxamide
PubChem CID167801688
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC NameN-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-3-phenyl-2,3-dihydroindole-1-carboxamide
SMILESCC1(c2ccc(CNC(=O)N3CC(c4ccccc4)c4ccccc43)cc2)NC(=O)NC1=O
InChIInChI=1S/C26H24N4O3/c1-26(23(31)28-24(32)29-26)19-13-11-17(12-14-19)15-27-25(33)30-16-21(18-7-3-2-4-8-18)20-9-5-6-10-22(20)30/h2-14,21H,15-16H2,1H3,(H,27,33)(H2,28,29,31,32)
InChIKeyJRYHZZCOJNBPDM-UHFFFAOYSA-N
XLogP3.60
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-3-phenyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-3-phenyl-2,3-dihydroindole-1-carboxamide (CID 167801688) is N-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-3-phenyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-3-phenyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-3-phenyl-2,3-dihydroindole-1-carboxamide is CC1(c2ccc(CNC(=O)N3CC(c4ccccc4)c4ccccc43)cc2)NC(=O)NC1=O.
What is the InChIKey of N-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-3-phenyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is JRYHZZCOJNBPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-26(23(31)28-24(32)29-26)19-13-11-17(12-14-19)15-27-25(33)30-16-21(18-7-3-2-4-8-18)20-9-5-6-10-22(20)30/h2-14,21H,15-16H2,1H3,(H,27,33)(H2,28,29,31,32).
What are the key properties of N-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-3-phenyl-2,3-dihydroindole-1-carboxamide?
N-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-3-phenyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 3.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-3-phenyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 167801688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).