(4S)-5-(5-cyclohexyl-1H-imidazol-2-yl)-6-ethyl-4-(3-fluoro-4-hydroxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one

C21H25FN4O2 — CID 70691509

IUPAC(4S)-5-(5-cyclohexyl-1H-imidazol-2-yl)-6-ethyl-4-(3-fluoro-4-hydroxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one
SMILESCCC1=C(c2ncc(C3CCCCC3)[nH]2)[C@H](c2ccc(O)c(F)c2)NC(=O)N1
InChIInChI=1S/C21H25FN4O2/c1-2-15-18(20-23-11-16(24-20)12-6-4-3-5-7-12)19(26-21(28)25-15)13-8-9-17(27)14(22)10-13/h8-12,19,27H,2-7H2,1H3,(H,23,24)(H2,25,26,28)/t19-/m0/s1
InChIKeyFFUYQONVIRZCKY-IBGZPJMESA-N
MW384.46 g/mol
LogP4.48
Rot. Bonds4

About (4S)-5-(5-cyclohexyl-1H-imidazol-2-yl)-6-ethyl-4-(3-fluoro-4-hydroxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one

(4S)-5-(5-cyclohexyl-1H-imidazol-2-yl)-6-ethyl-4-(3-fluoro-4-hydroxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 70691509) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is (4S)-5-(5-cyclohexyl-1H-imidazol-2-yl)-6-ethyl-4-(3-fluoro-4-hydroxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name(4S)-5-(5-cyclohexyl-1H-imidazol-2-yl)-6-ethyl-4-(3-fluoro-4-hydroxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID70691509
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC Name(4S)-5-(5-cyclohexyl-1H-imidazol-2-yl)-6-ethyl-4-(3-fluoro-4-hydroxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one
SMILESCCC1=C(c2ncc(C3CCCCC3)[nH]2)[C@H](c2ccc(O)c(F)c2)NC(=O)N1
InChIInChI=1S/C21H25FN4O2/c1-2-15-18(20-23-11-16(24-20)12-6-4-3-5-7-12)19(26-21(28)25-15)13-8-9-17(27)14(22)10-13/h8-12,19,27H,2-7H2,1H3,(H,23,24)(H2,25,26,28)/t19-/m0/s1
InChIKeyFFUYQONVIRZCKY-IBGZPJMESA-N
XLogP4.48
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 54.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze (4S)-5-(5-cyclohexyl-1H-imidazol-2-yl)-6-ethyl-4-(3-fluoro-4-hydroxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-5-(5-cyclohexyl-1H-imidazol-2-yl)-6-ethyl-4-(3-fluoro-4-hydroxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of (4S)-5-(5-cyclohexyl-1H-imidazol-2-yl)-6-ethyl-4-(3-fluoro-4-hydroxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one (CID 70691509) is (4S)-5-(5-cyclohexyl-1H-imidazol-2-yl)-6-ethyl-4-(3-fluoro-4-hydroxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for (4S)-5-(5-cyclohexyl-1H-imidazol-2-yl)-6-ethyl-4-(3-fluoro-4-hydroxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for (4S)-5-(5-cyclohexyl-1H-imidazol-2-yl)-6-ethyl-4-(3-fluoro-4-hydroxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one is CCC1=C(c2ncc(C3CCCCC3)[nH]2)[C@H](c2ccc(O)c(F)c2)NC(=O)N1.
What is the InChIKey of (4S)-5-(5-cyclohexyl-1H-imidazol-2-yl)-6-ethyl-4-(3-fluoro-4-hydroxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is FFUYQONVIRZCKY-IBGZPJMESA-N. The full InChI is InChI=1S/C21H25FN4O2/c1-2-15-18(20-23-11-16(24-20)12-6-4-3-5-7-12)19(26-21(28)25-15)13-8-9-17(27)14(22)10-13/h8-12,19,27H,2-7H2,1H3,(H,23,24)(H2,25,26,28)/t19-/m0/s1.
What are the key properties of (4S)-5-(5-cyclohexyl-1H-imidazol-2-yl)-6-ethyl-4-(3-fluoro-4-hydroxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one?
(4S)-5-(5-cyclohexyl-1H-imidazol-2-yl)-6-ethyl-4-(3-fluoro-4-hydroxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 384.46 g/mol, XLogP of 4.48, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-(5-cyclohexyl-1H-imidazol-2-yl)-6-ethyl-4-(3-fluoro-4-hydroxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 70691509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).