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

C32H35N5O3 — CID 10506551

IUPACN-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide
SMILESCN(C)CCc1c(C(=O)NCc2ccccc2)[nH]c2ccc(CCN3C(=O)NC(C)(c4ccccc4)C3=O)cc12
InChIInChI=1S/C32H35N5O3/c1-32(24-12-8-5-9-13-24)30(39)37(31(40)35-32)19-16-22-14-15-27-26(20-22)25(17-18-36(2)3)28(34-27)29(38)33-21-23-10-6-4-7-11-23/h4-15,20,34H,16-19,21H2,1-3H3,(H,33,38)(H,35,40)
InChIKeyDVIQWYZZFHGVAM-UHFFFAOYSA-N
MW537.66 g/mol
LogP4.21
Rot. Bonds10

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

N-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide (PubChem CID 10506551) has the molecular formula C32H35N5O3 and a molecular weight of 537.66 g/mol. Its IUPAC name is N-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide
PubChem CID10506551
Molecular FormulaC32H35N5O3
Molecular Weight537.66 g/mol
Exact Mass537.27
IUPAC NameN-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide
SMILESCN(C)CCc1c(C(=O)NCc2ccccc2)[nH]c2ccc(CCN3C(=O)NC(C)(c4ccccc4)C3=O)cc12
InChIInChI=1S/C32H35N5O3/c1-32(24-12-8-5-9-13-24)30(39)37(31(40)35-32)19-16-22-14-15-27-26(20-22)25(17-18-36(2)3)28(34-27)29(38)33-21-23-10-6-4-7-11-23/h4-15,20,34H,16-19,21H2,1-3H3,(H,33,38)(H,35,40)
InChIKeyDVIQWYZZFHGVAM-UHFFFAOYSA-N
XLogP4.21
TPSA97.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.66
LogP ≤ 54.21
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-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of N-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide (CID 10506551) is N-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide is CN(C)CCc1c(C(=O)NCc2ccccc2)[nH]c2ccc(CCN3C(=O)NC(C)(c4ccccc4)C3=O)cc12.
What is the InChIKey of N-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is DVIQWYZZFHGVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N5O3/c1-32(24-12-8-5-9-13-24)30(39)37(31(40)35-32)19-16-22-14-15-27-26(20-22)25(17-18-36(2)3)28(34-27)29(38)33-21-23-10-6-4-7-11-23/h4-15,20,34H,16-19,21H2,1-3H3,(H,33,38)(H,35,40).
What are the key properties of N-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide?
N-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 537.66 g/mol, XLogP of 4.21, 10 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-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 10506551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).