3-[3-[2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetyl]indol-1-yl]propanenitrile

C27H22N4O3 — CID 40864288

IUPAC3-[3-[2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetyl]indol-1-yl]propanenitrile
SMILESC[C@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)c2cn(CCC#N)c3ccccc23)C1=O
InChIInChI=1S/C27H22N4O3/c1-27(22-12-6-9-18-8-2-3-10-19(18)22)25(33)31(26(34)29-27)17-24(32)21-16-30(15-7-14-28)23-13-5-4-11-20(21)23/h2-6,8-13,16H,7,15,17H2,1H3,(H,29,34)/t27-/m1/s1
InChIKeyFNZIRBXCMZXZRV-HHHXNRCGSA-N
MW450.50 g/mol
LogP4.36
Rot. Bonds6

About 3-[3-[2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetyl]indol-1-yl]propanenitrile

3-[3-[2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetyl]indol-1-yl]propanenitrile (PubChem CID 40864288) has the molecular formula C27H22N4O3 and a molecular weight of 450.50 g/mol. Its IUPAC name is 3-[3-[2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetyl]indol-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[3-[2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetyl]indol-1-yl]propanenitrile
PubChem CID40864288
Molecular FormulaC27H22N4O3
Molecular Weight450.50 g/mol
Exact Mass450.17
IUPAC Name3-[3-[2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetyl]indol-1-yl]propanenitrile
SMILESC[C@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)c2cn(CCC#N)c3ccccc23)C1=O
InChIInChI=1S/C27H22N4O3/c1-27(22-12-6-9-18-8-2-3-10-19(18)22)25(33)31(26(34)29-27)17-24(32)21-16-30(15-7-14-28)23-13-5-4-11-20(21)23/h2-6,8-13,16H,7,15,17H2,1H3,(H,29,34)/t27-/m1/s1
InChIKeyFNZIRBXCMZXZRV-HHHXNRCGSA-N
XLogP4.36
TPSA95.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]indol-1-yl]propanenitrile
CID 7175021
3-[3-[2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetyl]indol-1-yl]propanenitrile
CID 41084628
(5S)-5-methyl-5-naphthalen-1-yl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]imidazolidine-2,4-dione
CID 7242837
3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 4882182
3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 42971848
(5S)-3-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 7180107
5-methyl-3-(2-methylprop-2-enyl)-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 17405528
(5S)-3-[2-(3-fluorophenyl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 8675905
(5S)-5-methyl-5-naphthalen-1-yl-3-[2-oxo-2-(4-propylphenyl)ethyl]imidazolidine-2,4-dione
CID 7179916
(5R)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 7242817
3-[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 43028359
3-ethyl-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 42915150

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetyl]indol-1-yl]propanenitrile?
The IUPAC name of 3-[3-[2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetyl]indol-1-yl]propanenitrile (CID 40864288) is 3-[3-[2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetyl]indol-1-yl]propanenitrile.
What is the SMILES notation for 3-[3-[2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetyl]indol-1-yl]propanenitrile?
The canonical SMILES for 3-[3-[2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetyl]indol-1-yl]propanenitrile is C[C@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)c2cn(CCC#N)c3ccccc23)C1=O.
What is the InChIKey of 3-[3-[2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetyl]indol-1-yl]propanenitrile?
The InChIKey is FNZIRBXCMZXZRV-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H22N4O3/c1-27(22-12-6-9-18-8-2-3-10-19(18)22)25(33)31(26(34)29-27)17-24(32)21-16-30(15-7-14-28)23-13-5-4-11-20(21)23/h2-6,8-13,16H,7,15,17H2,1H3,(H,29,34)/t27-/m1/s1.
What are the key properties of 3-[3-[2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetyl]indol-1-yl]propanenitrile?
3-[3-[2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetyl]indol-1-yl]propanenitrile has a molecular weight of 450.50 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetyl]indol-1-yl]propanenitrile is sourced from PubChem (CID 40864288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).