3-(3-ethyl-1,3-dimethyl-2H-indol-6-yl)-5,5-dimethyl-1-[[2-(propan-2-ylamino)-4-pyridinyl]methyl]imidazolidine-2,4-dione

C26H35N5O2 — CID 176737922

IUPAC3-(3-ethyl-1,3-dimethyl-2H-indol-6-yl)-5,5-dimethyl-1-[[2-(propan-2-ylamino)-4-pyridinyl]methyl]imidazolidine-2,4-dione
SMILESCCC1(C)CN(C)c2cc(N3C(=O)N(Cc4ccnc(NC(C)C)c4)C(C)(C)C3=O)ccc21
InChIInChI=1S/C26H35N5O2/c1-8-26(6)16-29(7)21-14-19(9-10-20(21)26)31-23(32)25(4,5)30(24(31)33)15-18-11-12-27-22(13-18)28-17(2)3/h9-14,17H,8,15-16H2,1-7H3,(H,27,28)
InChIKeyFKXLYNSOKJWURO-UHFFFAOYSA-N
MW449.60 g/mol
LogP4.77
Rot. Bonds6

About 3-(3-ethyl-1,3-dimethyl-2H-indol-6-yl)-5,5-dimethyl-1-[[2-(propan-2-ylamino)-4-pyridinyl]methyl]imidazolidine-2,4-dione

3-(3-ethyl-1,3-dimethyl-2H-indol-6-yl)-5,5-dimethyl-1-[[2-(propan-2-ylamino)-4-pyridinyl]methyl]imidazolidine-2,4-dione (PubChem CID 176737922) has the molecular formula C26H35N5O2 and a molecular weight of 449.60 g/mol. Its IUPAC name is 3-(3-ethyl-1,3-dimethyl-2H-indol-6-yl)-5,5-dimethyl-1-[[2-(propan-2-ylamino)-4-pyridinyl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3-ethyl-1,3-dimethyl-2H-indol-6-yl)-5,5-dimethyl-1-[[2-(propan-2-ylamino)-4-pyridinyl]methyl]imidazolidine-2,4-dione
PubChem CID176737922
Molecular FormulaC26H35N5O2
Molecular Weight449.60 g/mol
Exact Mass449.28
IUPAC Name3-(3-ethyl-1,3-dimethyl-2H-indol-6-yl)-5,5-dimethyl-1-[[2-(propan-2-ylamino)-4-pyridinyl]methyl]imidazolidine-2,4-dione
SMILESCCC1(C)CN(C)c2cc(N3C(=O)N(Cc4ccnc(NC(C)C)c4)C(C)(C)C3=O)ccc21
InChIInChI=1S/C26H35N5O2/c1-8-26(6)16-29(7)21-14-19(9-10-20(21)26)31-23(32)25(4,5)30(24(31)33)15-18-11-12-27-22(13-18)28-17(2)3/h9-14,17H,8,15-16H2,1-7H3,(H,27,28)
InChIKeyFKXLYNSOKJWURO-UHFFFAOYSA-N
XLogP4.77
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-1,3-dimethyl-2H-indol-6-yl)-5,5-dimethyl-1-[[2-(propan-2-ylamino)-4-pyridinyl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-(3-ethyl-1,3-dimethyl-2H-indol-6-yl)-5,5-dimethyl-1-[[2-(propan-2-ylamino)-4-pyridinyl]methyl]imidazolidine-2,4-dione (CID 176737922) is 3-(3-ethyl-1,3-dimethyl-2H-indol-6-yl)-5,5-dimethyl-1-[[2-(propan-2-ylamino)-4-pyridinyl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-(3-ethyl-1,3-dimethyl-2H-indol-6-yl)-5,5-dimethyl-1-[[2-(propan-2-ylamino)-4-pyridinyl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-(3-ethyl-1,3-dimethyl-2H-indol-6-yl)-5,5-dimethyl-1-[[2-(propan-2-ylamino)-4-pyridinyl]methyl]imidazolidine-2,4-dione is CCC1(C)CN(C)c2cc(N3C(=O)N(Cc4ccnc(NC(C)C)c4)C(C)(C)C3=O)ccc21.
What is the InChIKey of 3-(3-ethyl-1,3-dimethyl-2H-indol-6-yl)-5,5-dimethyl-1-[[2-(propan-2-ylamino)-4-pyridinyl]methyl]imidazolidine-2,4-dione?
The InChIKey is FKXLYNSOKJWURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O2/c1-8-26(6)16-29(7)21-14-19(9-10-20(21)26)31-23(32)25(4,5)30(24(31)33)15-18-11-12-27-22(13-18)28-17(2)3/h9-14,17H,8,15-16H2,1-7H3,(H,27,28).
What are the key properties of 3-(3-ethyl-1,3-dimethyl-2H-indol-6-yl)-5,5-dimethyl-1-[[2-(propan-2-ylamino)-4-pyridinyl]methyl]imidazolidine-2,4-dione?
3-(3-ethyl-1,3-dimethyl-2H-indol-6-yl)-5,5-dimethyl-1-[[2-(propan-2-ylamino)-4-pyridinyl]methyl]imidazolidine-2,4-dione has a molecular weight of 449.60 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-1,3-dimethyl-2H-indol-6-yl)-5,5-dimethyl-1-[[2-(propan-2-ylamino)-4-pyridinyl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 176737922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).