chloro-[1-cyclohexyl-3-[2,6-di(propan-2-yl)phenyl]-4-oxoimidazolidin-2-ylidene]gold

C21H30AuClN2O — CID 87424186

IUPACchloro-[1-cyclohexyl-3-[2,6-di(propan-2-yl)phenyl]-4-oxoimidazolidin-2-ylidene]gold
SMILESCC(C)c1cccc(C(C)C)c1N1C(=O)CN(C2CCCCC2)/C1=[Au]\Cl
InChIInChI=1S/C21H30N2O.Au.ClH/c1-15(2)18-11-8-12-19(16(3)4)21(18)23-14-22(13-20(23)24)17-9-6-5-7-10-17;;/h8,11-12,15-17H,5-7,9-10,13H2,1-4H3;;1H/q;+1;/p-1
InChIKeyNOJTUUMRKPXLMB-UHFFFAOYSA-M
MW558.90 g/mol
LogP5.24
Rot. Bonds4

About chloro-[1-cyclohexyl-3-[2,6-di(propan-2-yl)phenyl]-4-oxoimidazolidin-2-ylidene]gold

chloro-[1-cyclohexyl-3-[2,6-di(propan-2-yl)phenyl]-4-oxoimidazolidin-2-ylidene]gold (PubChem CID 87424186) has the molecular formula C21H30AuClN2O and a molecular weight of 558.90 g/mol. Its IUPAC name is chloro-[1-cyclohexyl-3-[2,6-di(propan-2-yl)phenyl]-4-oxoimidazolidin-2-ylidene]gold.

Molecular Properties

Compound Namechloro-[1-cyclohexyl-3-[2,6-di(propan-2-yl)phenyl]-4-oxoimidazolidin-2-ylidene]gold
PubChem CID87424186
Molecular FormulaC21H30AuClN2O
Molecular Weight558.90 g/mol
Exact Mass558.17
IUPAC Namechloro-[1-cyclohexyl-3-[2,6-di(propan-2-yl)phenyl]-4-oxoimidazolidin-2-ylidene]gold
SMILESCC(C)c1cccc(C(C)C)c1N1C(=O)CN(C2CCCCC2)/C1=[Au]\Cl
InChIInChI=1S/C21H30N2O.Au.ClH/c1-15(2)18-11-8-12-19(16(3)4)21(18)23-14-22(13-20(23)24)17-9-6-5-7-10-17;;/h8,11-12,15-17H,5-7,9-10,13H2,1-4H3;;1H/q;+1;/p-1
InChIKeyNOJTUUMRKPXLMB-UHFFFAOYSA-M
XLogP5.24
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.90
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-5-propan-2-yl-1,4-dihydroisoquinolin-3-one
CID 167034342
7-cyclohexyl-18-[2,6-di(propan-2-yl)phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 102404246
CID 138965510
CID 138965510
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2-(1-cyclohexyl-2,3-dihydroindol-7-yl)propan-1-amine
CID 117118520
3-(3-chloro-4-methylphenyl)-1-cyclopentylimidazolidine-2,4-dione
CID 60837303
3-[4-(aminomethyl)phenyl]-1-cyclopentylimidazolidine-2,4-dione
CID 80578980
1-cyclopentyl-3-(3,4-dichlorophenyl)imidazolidine-2,4-dione
CID 60836611
3-cyclohexyl-1-cyclopentylimidazolidine-2,4-dione
CID 60836782
1-cyclooctylpyrrolidine-2,4-dione
CID 79516413
1-cyclohexyl-4-methylpiperazin-2-one
CID 58742110

Frequently Asked Questions

What is the IUPAC name of chloro-[1-cyclohexyl-3-[2,6-di(propan-2-yl)phenyl]-4-oxoimidazolidin-2-ylidene]gold?
The IUPAC name of chloro-[1-cyclohexyl-3-[2,6-di(propan-2-yl)phenyl]-4-oxoimidazolidin-2-ylidene]gold (CID 87424186) is chloro-[1-cyclohexyl-3-[2,6-di(propan-2-yl)phenyl]-4-oxoimidazolidin-2-ylidene]gold.
What is the SMILES notation for chloro-[1-cyclohexyl-3-[2,6-di(propan-2-yl)phenyl]-4-oxoimidazolidin-2-ylidene]gold?
The canonical SMILES for chloro-[1-cyclohexyl-3-[2,6-di(propan-2-yl)phenyl]-4-oxoimidazolidin-2-ylidene]gold is CC(C)c1cccc(C(C)C)c1N1C(=O)CN(C2CCCCC2)/C1=[Au]\Cl.
What is the InChIKey of chloro-[1-cyclohexyl-3-[2,6-di(propan-2-yl)phenyl]-4-oxoimidazolidin-2-ylidene]gold?
The InChIKey is NOJTUUMRKPXLMB-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H30N2O.Au.ClH/c1-15(2)18-11-8-12-19(16(3)4)21(18)23-14-22(13-20(23)24)17-9-6-5-7-10-17;;/h8,11-12,15-17H,5-7,9-10,13H2,1-4H3;;1H/q;+1;/p-1.
What are the key properties of chloro-[1-cyclohexyl-3-[2,6-di(propan-2-yl)phenyl]-4-oxoimidazolidin-2-ylidene]gold?
chloro-[1-cyclohexyl-3-[2,6-di(propan-2-yl)phenyl]-4-oxoimidazolidin-2-ylidene]gold has a molecular weight of 558.90 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[1-cyclohexyl-3-[2,6-di(propan-2-yl)phenyl]-4-oxoimidazolidin-2-ylidene]gold is sourced from PubChem (CID 87424186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).