3-[1-[2-(diethylamino)acetyl]-3,3-dimethyl-2H-indol-6-yl]-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione

C27H35N5O3 — CID 66915869

IUPAC3-[1-[2-(diethylamino)acetyl]-3,3-dimethyl-2H-indol-6-yl]-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione
SMILESCCN(CC)CC(=O)N1CC(C)(C)c2ccc(N3C(=O)N(Cc4ccncc4)C(C)(C)C3=O)cc21
InChIInChI=1S/C27H35N5O3/c1-7-29(8-2)17-23(33)30-18-26(3,4)21-10-9-20(15-22(21)30)32-24(34)27(5,6)31(25(32)35)16-19-11-13-28-14-12-19/h9-15H,7-8,16-18H2,1-6H3
InChIKeyVFPPBYFHVDGPPC-UHFFFAOYSA-N
MW477.61 g/mol
LogP3.80
Rot. Bonds7

About 3-[1-[2-(diethylamino)acetyl]-3,3-dimethyl-2H-indol-6-yl]-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione

3-[1-[2-(diethylamino)acetyl]-3,3-dimethyl-2H-indol-6-yl]-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione (PubChem CID 66915869) has the molecular formula C27H35N5O3 and a molecular weight of 477.61 g/mol. Its IUPAC name is 3-[1-[2-(diethylamino)acetyl]-3,3-dimethyl-2H-indol-6-yl]-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[2-(diethylamino)acetyl]-3,3-dimethyl-2H-indol-6-yl]-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione
PubChem CID66915869
Molecular FormulaC27H35N5O3
Molecular Weight477.61 g/mol
Exact Mass477.27
IUPAC Name3-[1-[2-(diethylamino)acetyl]-3,3-dimethyl-2H-indol-6-yl]-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione
SMILESCCN(CC)CC(=O)N1CC(C)(C)c2ccc(N3C(=O)N(Cc4ccncc4)C(C)(C)C3=O)cc21
InChIInChI=1S/C27H35N5O3/c1-7-29(8-2)17-23(33)30-18-26(3,4)21-10-9-20(15-22(21)30)32-24(34)27(5,6)31(25(32)35)16-19-11-13-28-14-12-19/h9-15H,7-8,16-18H2,1-6H3
InChIKeyVFPPBYFHVDGPPC-UHFFFAOYSA-N
XLogP3.80
TPSA77.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 53.80
H-Bond Donors ≤ 50
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-[1-[2-(diethylamino)acetyl]-3,3-dimethyl-2H-indol-6-yl]-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[1-[2-(diethylamino)acetyl]-3,3-dimethyl-2H-indol-6-yl]-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione (CID 66915869) is 3-[1-[2-(diethylamino)acetyl]-3,3-dimethyl-2H-indol-6-yl]-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-[2-(diethylamino)acetyl]-3,3-dimethyl-2H-indol-6-yl]-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-[2-(diethylamino)acetyl]-3,3-dimethyl-2H-indol-6-yl]-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione is CCN(CC)CC(=O)N1CC(C)(C)c2ccc(N3C(=O)N(Cc4ccncc4)C(C)(C)C3=O)cc21.
What is the InChIKey of 3-[1-[2-(diethylamino)acetyl]-3,3-dimethyl-2H-indol-6-yl]-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is VFPPBYFHVDGPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O3/c1-7-29(8-2)17-23(33)30-18-26(3,4)21-10-9-20(15-22(21)30)32-24(34)27(5,6)31(25(32)35)16-19-11-13-28-14-12-19/h9-15H,7-8,16-18H2,1-6H3.
What are the key properties of 3-[1-[2-(diethylamino)acetyl]-3,3-dimethyl-2H-indol-6-yl]-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione?
3-[1-[2-(diethylamino)acetyl]-3,3-dimethyl-2H-indol-6-yl]-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 477.61 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(diethylamino)acetyl]-3,3-dimethyl-2H-indol-6-yl]-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 66915869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).