N-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide

C37H37N5O3 — CID 10531623

IUPACN-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide
SMILESCN(C)CCc1c(C(=O)NCc2ccccc2)[nH]c2ccc(CCN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)cc12
InChIInChI=1S/C37H37N5O3/c1-41(2)22-21-30-31-24-26(18-19-32(31)39-33(30)34(43)38-25-27-12-6-3-7-13-27)20-23-42-35(44)37(40-36(42)45,28-14-8-4-9-15-28)29-16-10-5-11-17-29/h3-19,24,39H,20-23,25H2,1-2H3,(H,38,43)(H,40,45)
InChIKeyMGXUBCMNTTYNHN-UHFFFAOYSA-N
MW599.74 g/mol
LogP5.24
Rot. Bonds11

About N-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide

N-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide (PubChem CID 10531623) has the molecular formula C37H37N5O3 and a molecular weight of 599.74 g/mol. Its IUPAC name is N-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide
PubChem CID10531623
Molecular FormulaC37H37N5O3
Molecular Weight599.74 g/mol
Exact Mass599.29
IUPAC NameN-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide
SMILESCN(C)CCc1c(C(=O)NCc2ccccc2)[nH]c2ccc(CCN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)cc12
InChIInChI=1S/C37H37N5O3/c1-41(2)22-21-30-31-24-26(18-19-32(31)39-33(30)34(43)38-25-27-12-6-3-7-13-27)20-23-42-35(44)37(40-36(42)45,28-14-8-4-9-15-28)29-16-10-5-11-17-29/h3-19,24,39H,20-23,25H2,1-2H3,(H,38,43)(H,40,45)
InChIKeyMGXUBCMNTTYNHN-UHFFFAOYSA-N
XLogP5.24
TPSA97.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.74
LogP ≤ 55.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of N-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide (CID 10531623) is N-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide is CN(C)CCc1c(C(=O)NCc2ccccc2)[nH]c2ccc(CCN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)cc12.
What is the InChIKey of N-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is MGXUBCMNTTYNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37N5O3/c1-41(2)22-21-30-31-24-26(18-19-32(31)39-33(30)34(43)38-25-27-12-6-3-7-13-27)20-23-42-35(44)37(40-36(42)45,28-14-8-4-9-15-28)29-16-10-5-11-17-29/h3-19,24,39H,20-23,25H2,1-2H3,(H,38,43)(H,40,45).
What are the key properties of N-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide?
N-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 599.74 g/mol, XLogP of 5.24, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 10531623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).