(5R)-4-cyclohexylimino-5-(4-fluorophenyl)-1-(4-methoxyphenyl)imidazolidin-2-one

C22H24FN3O2 — CID 135795113

IUPAC(5R)-4-cyclohexylimino-5-(4-fluorophenyl)-1-(4-methoxyphenyl)imidazolidin-2-one
SMILESCOc1ccc(N2C(=O)N/C(=N\C3CCCCC3)[C@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C22H24FN3O2/c1-28-19-13-11-18(12-14-19)26-20(15-7-9-16(23)10-8-15)21(25-22(26)27)24-17-5-3-2-4-6-17/h7-14,17,20H,2-6H2,1H3,(H,24,25,27)/t20-/m1/s1
InChIKeyCDMJDNLAHSHCBS-HXUWFJFHSA-N
MW381.45 g/mol
LogP4.84
Rot. Bonds4

About (5R)-4-cyclohexylimino-5-(4-fluorophenyl)-1-(4-methoxyphenyl)imidazolidin-2-one

(5R)-4-cyclohexylimino-5-(4-fluorophenyl)-1-(4-methoxyphenyl)imidazolidin-2-one (PubChem CID 135795113) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is (5R)-4-cyclohexylimino-5-(4-fluorophenyl)-1-(4-methoxyphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name(5R)-4-cyclohexylimino-5-(4-fluorophenyl)-1-(4-methoxyphenyl)imidazolidin-2-one
PubChem CID135795113
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name(5R)-4-cyclohexylimino-5-(4-fluorophenyl)-1-(4-methoxyphenyl)imidazolidin-2-one
SMILESCOc1ccc(N2C(=O)N/C(=N\C3CCCCC3)[C@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C22H24FN3O2/c1-28-19-13-11-18(12-14-19)26-20(15-7-9-16(23)10-8-15)21(25-22(26)27)24-17-5-3-2-4-6-17/h7-14,17,20H,2-6H2,1H3,(H,24,25,27)/t20-/m1/s1
InChIKeyCDMJDNLAHSHCBS-HXUWFJFHSA-N
XLogP4.84
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-4-cyclohexylimino-5-(4-fluorophenyl)-1-(4-methoxyphenyl)imidazolidin-2-one?
The IUPAC name of (5R)-4-cyclohexylimino-5-(4-fluorophenyl)-1-(4-methoxyphenyl)imidazolidin-2-one (CID 135795113) is (5R)-4-cyclohexylimino-5-(4-fluorophenyl)-1-(4-methoxyphenyl)imidazolidin-2-one.
What is the SMILES notation for (5R)-4-cyclohexylimino-5-(4-fluorophenyl)-1-(4-methoxyphenyl)imidazolidin-2-one?
The canonical SMILES for (5R)-4-cyclohexylimino-5-(4-fluorophenyl)-1-(4-methoxyphenyl)imidazolidin-2-one is COc1ccc(N2C(=O)N/C(=N\C3CCCCC3)[C@H]2c2ccc(F)cc2)cc1.
What is the InChIKey of (5R)-4-cyclohexylimino-5-(4-fluorophenyl)-1-(4-methoxyphenyl)imidazolidin-2-one?
The InChIKey is CDMJDNLAHSHCBS-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-28-19-13-11-18(12-14-19)26-20(15-7-9-16(23)10-8-15)21(25-22(26)27)24-17-5-3-2-4-6-17/h7-14,17,20H,2-6H2,1H3,(H,24,25,27)/t20-/m1/s1.
What are the key properties of (5R)-4-cyclohexylimino-5-(4-fluorophenyl)-1-(4-methoxyphenyl)imidazolidin-2-one?
(5R)-4-cyclohexylimino-5-(4-fluorophenyl)-1-(4-methoxyphenyl)imidazolidin-2-one has a molecular weight of 381.45 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-cyclohexylimino-5-(4-fluorophenyl)-1-(4-methoxyphenyl)imidazolidin-2-one is sourced from PubChem (CID 135795113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).