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

C33H37N5O3 — CID 10626523

IUPACN-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(3,4-dimethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide
SMILESCN(C)CCc1c(C(=O)NCc2ccccc2)[nH]c2ccc(CCN3C(=O)N(C)C(C)(c4ccccc4)C3=O)cc12
InChIInChI=1S/C33H37N5O3/c1-33(25-13-9-6-10-14-25)31(40)38(32(41)37(33)4)20-17-23-15-16-28-27(21-23)26(18-19-36(2)3)29(35-28)30(39)34-22-24-11-7-5-8-12-24/h5-16,21,35H,17-20,22H2,1-4H3,(H,34,39)
InChIKeySGRACZVCFDBZDN-UHFFFAOYSA-N
MW551.69 g/mol
LogP4.55
Rot. Bonds10

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

N-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(3,4-dimethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide (PubChem CID 10626523) has the molecular formula C33H37N5O3 and a molecular weight of 551.69 g/mol. Its IUPAC name is N-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(3,4-dimethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(3,4-dimethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide
PubChem CID10626523
Molecular FormulaC33H37N5O3
Molecular Weight551.69 g/mol
Exact Mass551.29
IUPAC NameN-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(3,4-dimethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide
SMILESCN(C)CCc1c(C(=O)NCc2ccccc2)[nH]c2ccc(CCN3C(=O)N(C)C(C)(c4ccccc4)C3=O)cc12
InChIInChI=1S/C33H37N5O3/c1-33(25-13-9-6-10-14-25)31(40)38(32(41)37(33)4)20-17-23-15-16-28-27(21-23)26(18-19-36(2)3)29(35-28)30(39)34-22-24-11-7-5-8-12-24/h5-16,21,35H,17-20,22H2,1-4H3,(H,34,39)
InChIKeySGRACZVCFDBZDN-UHFFFAOYSA-N
XLogP4.55
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.69
LogP ≤ 54.55
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-(3,4-dimethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of N-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(3,4-dimethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide (CID 10626523) is N-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(3,4-dimethyl-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-(3,4-dimethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(3,4-dimethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide is CN(C)CCc1c(C(=O)NCc2ccccc2)[nH]c2ccc(CCN3C(=O)N(C)C(C)(c4ccccc4)C3=O)cc12.
What is the InChIKey of N-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(3,4-dimethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is SGRACZVCFDBZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N5O3/c1-33(25-13-9-6-10-14-25)31(40)38(32(41)37(33)4)20-17-23-15-16-28-27(21-23)26(18-19-36(2)3)29(35-28)30(39)34-22-24-11-7-5-8-12-24/h5-16,21,35H,17-20,22H2,1-4H3,(H,34,39).
What are the key properties of N-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(3,4-dimethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide?
N-benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(3,4-dimethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 551.69 g/mol, XLogP of 4.55, 10 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-(3,4-dimethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 10626523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).