N-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-N-methyl-1H-indole-2-carboxamide

C28H35N5O3 — CID 10672681

IUPACN-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-N-methyl-1H-indole-2-carboxamide
SMILESCN(C)CCc1c(C(=O)N(C)Cc2ccccc2)[nH]c2ccc(CCN3C(=O)NC(C)(C)C3=O)cc12
InChIInChI=1S/C28H35N5O3/c1-28(2)26(35)33(27(36)30-28)16-13-19-11-12-23-22(17-19)21(14-15-31(3)4)24(29-23)25(34)32(5)18-20-9-7-6-8-10-20/h6-12,17,29H,13-16,18H2,1-5H3,(H,30,36)
InChIKeyFTUZUJWUKMJPND-UHFFFAOYSA-N
MW489.62 g/mol
LogP3.42
Rot. Bonds9

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

N-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-N-methyl-1H-indole-2-carboxamide (PubChem CID 10672681) has the molecular formula C28H35N5O3 and a molecular weight of 489.62 g/mol. Its IUPAC name is N-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-N-methyl-1H-indole-2-carboxamide
PubChem CID10672681
Molecular FormulaC28H35N5O3
Molecular Weight489.62 g/mol
Exact Mass489.27
IUPAC NameN-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-N-methyl-1H-indole-2-carboxamide
SMILESCN(C)CCc1c(C(=O)N(C)Cc2ccccc2)[nH]c2ccc(CCN3C(=O)NC(C)(C)C3=O)cc12
InChIInChI=1S/C28H35N5O3/c1-28(2)26(35)33(27(36)30-28)16-13-19-11-12-23-22(17-19)21(14-15-31(3)4)24(29-23)25(34)32(5)18-20-9-7-6-8-10-20/h6-12,17,29H,13-16,18H2,1-5H3,(H,30,36)
InChIKeyFTUZUJWUKMJPND-UHFFFAOYSA-N
XLogP3.42
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 53.42
H-Bond Donors ≤ 52
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-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-N-methyl-1H-indole-2-carboxamide (CID 10672681) is N-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-N-methyl-1H-indole-2-carboxamide is CN(C)CCc1c(C(=O)N(C)Cc2ccccc2)[nH]c2ccc(CCN3C(=O)NC(C)(C)C3=O)cc12.
What is the InChIKey of N-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-N-methyl-1H-indole-2-carboxamide?
The InChIKey is FTUZUJWUKMJPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O3/c1-28(2)26(35)33(27(36)30-28)16-13-19-11-12-23-22(17-19)21(14-15-31(3)4)24(29-23)25(34)32(5)18-20-9-7-6-8-10-20/h6-12,17,29H,13-16,18H2,1-5H3,(H,30,36).
What are the key properties of N-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-N-methyl-1H-indole-2-carboxamide?
N-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-N-methyl-1H-indole-2-carboxamide has a molecular weight of 489.62 g/mol, XLogP of 3.42, 9 rotatable bonds, 2 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-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 10672681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).