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

C26H31N5O3 — CID 10647707

IUPAC3-[2-(dimethylamino)ethyl]-5-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-N-phenyl-1H-indole-2-carboxamide
SMILESCN(C)CCc1c(C(=O)Nc2ccccc2)[nH]c2ccc(CCN3C(=O)NC(C)(C)C3=O)cc12
InChIInChI=1S/C26H31N5O3/c1-26(2)24(33)31(25(34)29-26)15-12-17-10-11-21-20(16-17)19(13-14-30(3)4)22(28-21)23(32)27-18-8-6-5-7-9-18/h5-11,16,28H,12-15H2,1-4H3,(H,27,32)(H,29,34)
InChIKeyHVRFWIWHEXRQQU-UHFFFAOYSA-N
MW461.57 g/mol
LogP3.40
Rot. Bonds8

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

3-[2-(dimethylamino)ethyl]-5-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-N-phenyl-1H-indole-2-carboxamide (PubChem CID 10647707) has the molecular formula C26H31N5O3 and a molecular weight of 461.57 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-5-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-N-phenyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-5-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-N-phenyl-1H-indole-2-carboxamide
PubChem CID10647707
Molecular FormulaC26H31N5O3
Molecular Weight461.57 g/mol
Exact Mass461.24
IUPAC Name3-[2-(dimethylamino)ethyl]-5-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-N-phenyl-1H-indole-2-carboxamide
SMILESCN(C)CCc1c(C(=O)Nc2ccccc2)[nH]c2ccc(CCN3C(=O)NC(C)(C)C3=O)cc12
InChIInChI=1S/C26H31N5O3/c1-26(2)24(33)31(25(34)29-26)15-12-17-10-11-21-20(16-17)19(13-14-30(3)4)22(28-21)23(32)27-18-8-6-5-7-9-18/h5-11,16,28H,12-15H2,1-4H3,(H,27,32)(H,29,34)
InChIKeyHVRFWIWHEXRQQU-UHFFFAOYSA-N
XLogP3.40
TPSA97.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 53.40
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 3-[2-(dimethylamino)ethyl]-5-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-N-phenyl-1H-indole-2-carboxamide?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-5-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-N-phenyl-1H-indole-2-carboxamide (CID 10647707) is 3-[2-(dimethylamino)ethyl]-5-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-N-phenyl-1H-indole-2-carboxamide.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-5-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-N-phenyl-1H-indole-2-carboxamide?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-5-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-N-phenyl-1H-indole-2-carboxamide is CN(C)CCc1c(C(=O)Nc2ccccc2)[nH]c2ccc(CCN3C(=O)NC(C)(C)C3=O)cc12.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-5-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-N-phenyl-1H-indole-2-carboxamide?
The InChIKey is HVRFWIWHEXRQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3/c1-26(2)24(33)31(25(34)29-26)15-12-17-10-11-21-20(16-17)19(13-14-30(3)4)22(28-21)23(32)27-18-8-6-5-7-9-18/h5-11,16,28H,12-15H2,1-4H3,(H,27,32)(H,29,34).
What are the key properties of 3-[2-(dimethylamino)ethyl]-5-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-N-phenyl-1H-indole-2-carboxamide?
3-[2-(dimethylamino)ethyl]-5-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-N-phenyl-1H-indole-2-carboxamide has a molecular weight of 461.57 g/mol, XLogP of 3.40, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-5-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-N-phenyl-1H-indole-2-carboxamide is sourced from PubChem (CID 10647707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).