1-[2,5-bis(3-chlorophenyl)-4-(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl]-1,3-diazinan-4-one

C26H21Cl3N4O2 — CID 146587589

IUPAC1-[2,5-bis(3-chlorophenyl)-4-(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl]-1,3-diazinan-4-one
SMILESO=C1CCN(C(=O)N2C(c3cccc(Cl)c3)=NC(c3ccc(Cl)cc3)C2c2cccc(Cl)c2)CN1
InChIInChI=1S/C26H21Cl3N4O2/c27-19-9-7-16(8-10-19)23-24(17-3-1-5-20(28)13-17)33(26(35)32-12-11-22(34)30-15-32)25(31-23)18-4-2-6-21(29)14-18/h1-10,13-14,23-24H,11-12,15H2,(H,30,34)
InChIKeyGKZFTQBQXCXRSF-UHFFFAOYSA-N
MW527.84 g/mol
LogP6.09
Rot. Bonds3

About 1-[2,5-bis(3-chlorophenyl)-4-(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl]-1,3-diazinan-4-one

1-[2,5-bis(3-chlorophenyl)-4-(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl]-1,3-diazinan-4-one (PubChem CID 146587589) has the molecular formula C26H21Cl3N4O2 and a molecular weight of 527.84 g/mol. Its IUPAC name is 1-[2,5-bis(3-chlorophenyl)-4-(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl]-1,3-diazinan-4-one.

Molecular Properties

Compound Name1-[2,5-bis(3-chlorophenyl)-4-(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl]-1,3-diazinan-4-one
PubChem CID146587589
Molecular FormulaC26H21Cl3N4O2
Molecular Weight527.84 g/mol
Exact Mass526.07
IUPAC Name1-[2,5-bis(3-chlorophenyl)-4-(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl]-1,3-diazinan-4-one
SMILESO=C1CCN(C(=O)N2C(c3cccc(Cl)c3)=NC(c3ccc(Cl)cc3)C2c2cccc(Cl)c2)CN1
InChIInChI=1S/C26H21Cl3N4O2/c27-19-9-7-16(8-10-19)23-24(17-3-1-5-20(28)13-17)33(26(35)32-12-11-22(34)30-15-32)25(31-23)18-4-2-6-21(29)14-18/h1-10,13-14,23-24H,11-12,15H2,(H,30,34)
InChIKeyGKZFTQBQXCXRSF-UHFFFAOYSA-N
XLogP6.09
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.84
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-chlorophenyl)-5-(3-methylphenyl)-4-(4-methylsulfonylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperidin-4-one
CID 158659278
4-[5-(3-chlorophenyl)-2,4-bis[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 118880975
4-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-2-(3-methylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 118880928
4-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-2-(4-methoxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 122606268
1-[(4S,5R)-2-(4-tert-butyl-2,5-diethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl]-1,4-diazepan-5-one;hydrochloride
CID 67012877
4-[5-(3-chlorophenyl)-2-(2-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 118883235
4-[2,5-bis(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 118880931
4-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 118880874
4-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-1-(3-oxopiperazine-1-carbonyl)-4,5-dihydroimidazol-2-yl]-3-propan-2-yloxybenzonitrile
CID 123429964
4-[5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 118880947
4-[(4S,5R)-4-(4-chlorophenyl)-1-(3-oxopiperazine-1-carbonyl)-5-phenyl-4,5-dihydroimidazol-2-yl]-3-propan-2-yloxybenzonitrile
CID 118548189
1-[5,6-bis(4-chlorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]-1,4-diazepan-5-one
CID 58007479

Frequently Asked Questions

What is the IUPAC name of 1-[2,5-bis(3-chlorophenyl)-4-(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl]-1,3-diazinan-4-one?
The IUPAC name of 1-[2,5-bis(3-chlorophenyl)-4-(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl]-1,3-diazinan-4-one (CID 146587589) is 1-[2,5-bis(3-chlorophenyl)-4-(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl]-1,3-diazinan-4-one.
What is the SMILES notation for 1-[2,5-bis(3-chlorophenyl)-4-(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl]-1,3-diazinan-4-one?
The canonical SMILES for 1-[2,5-bis(3-chlorophenyl)-4-(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl]-1,3-diazinan-4-one is O=C1CCN(C(=O)N2C(c3cccc(Cl)c3)=NC(c3ccc(Cl)cc3)C2c2cccc(Cl)c2)CN1.
What is the InChIKey of 1-[2,5-bis(3-chlorophenyl)-4-(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl]-1,3-diazinan-4-one?
The InChIKey is GKZFTQBQXCXRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21Cl3N4O2/c27-19-9-7-16(8-10-19)23-24(17-3-1-5-20(28)13-17)33(26(35)32-12-11-22(34)30-15-32)25(31-23)18-4-2-6-21(29)14-18/h1-10,13-14,23-24H,11-12,15H2,(H,30,34).
What are the key properties of 1-[2,5-bis(3-chlorophenyl)-4-(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl]-1,3-diazinan-4-one?
1-[2,5-bis(3-chlorophenyl)-4-(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl]-1,3-diazinan-4-one has a molecular weight of 527.84 g/mol, XLogP of 6.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-bis(3-chlorophenyl)-4-(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl]-1,3-diazinan-4-one is sourced from PubChem (CID 146587589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).