2-amino-5-(4-chlorophenyl)-3,5-dicyclohexylimidazol-4-one

C21H28ClN3O — CID 86274555

IUPAC2-amino-5-(4-chlorophenyl)-3,5-dicyclohexylimidazol-4-one
SMILESNC1=NC(c2ccc(Cl)cc2)(C2CCCCC2)C(=O)N1C1CCCCC1
InChIInChI=1S/C21H28ClN3O/c22-17-13-11-16(12-14-17)21(15-7-3-1-4-8-15)19(26)25(20(23)24-21)18-9-5-2-6-10-18/h11-15,18H,1-10H2,(H2,23,24)
InChIKeyDUHGIUMUKRLGDZ-UHFFFAOYSA-N
MW373.93 g/mol
LogP4.61
Rot. Bonds3

About 2-amino-5-(4-chlorophenyl)-3,5-dicyclohexylimidazol-4-one

2-amino-5-(4-chlorophenyl)-3,5-dicyclohexylimidazol-4-one (PubChem CID 86274555) has the molecular formula C21H28ClN3O and a molecular weight of 373.93 g/mol. Its IUPAC name is 2-amino-5-(4-chlorophenyl)-3,5-dicyclohexylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(4-chlorophenyl)-3,5-dicyclohexylimidazol-4-one
PubChem CID86274555
Molecular FormulaC21H28ClN3O
Molecular Weight373.93 g/mol
Exact Mass373.19
IUPAC Name2-amino-5-(4-chlorophenyl)-3,5-dicyclohexylimidazol-4-one
SMILESNC1=NC(c2ccc(Cl)cc2)(C2CCCCC2)C(=O)N1C1CCCCC1
InChIInChI=1S/C21H28ClN3O/c22-17-13-11-16(12-14-17)21(15-7-3-1-4-8-15)19(26)25(20(23)24-21)18-9-5-2-6-10-18/h11-15,18H,1-10H2,(H2,23,24)
InChIKeyDUHGIUMUKRLGDZ-UHFFFAOYSA-N
XLogP4.61
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.93
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-chlorophenyl)-3,5-dicyclohexylimidazol-4-one?
The IUPAC name of 2-amino-5-(4-chlorophenyl)-3,5-dicyclohexylimidazol-4-one (CID 86274555) is 2-amino-5-(4-chlorophenyl)-3,5-dicyclohexylimidazol-4-one.
What is the SMILES notation for 2-amino-5-(4-chlorophenyl)-3,5-dicyclohexylimidazol-4-one?
The canonical SMILES for 2-amino-5-(4-chlorophenyl)-3,5-dicyclohexylimidazol-4-one is NC1=NC(c2ccc(Cl)cc2)(C2CCCCC2)C(=O)N1C1CCCCC1.
What is the InChIKey of 2-amino-5-(4-chlorophenyl)-3,5-dicyclohexylimidazol-4-one?
The InChIKey is DUHGIUMUKRLGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN3O/c22-17-13-11-16(12-14-17)21(15-7-3-1-4-8-15)19(26)25(20(23)24-21)18-9-5-2-6-10-18/h11-15,18H,1-10H2,(H2,23,24).
What are the key properties of 2-amino-5-(4-chlorophenyl)-3,5-dicyclohexylimidazol-4-one?
2-amino-5-(4-chlorophenyl)-3,5-dicyclohexylimidazol-4-one has a molecular weight of 373.93 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-chlorophenyl)-3,5-dicyclohexylimidazol-4-one is sourced from PubChem (CID 86274555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).