(2Z)-5-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5-methyl-6,7-dihydro-1H-imidazo[1,2-a]pyrimidin-3-imine

C25H25FN6O — CID 25184858

IUPAC(2Z)-5-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5-methyl-6,7-dihydro-1H-imidazo[1,2-a]pyrimidin-3-imine
SMILES[H]/N=c1\c(=C\c2ccc(-n3cnc(C)c3)c(OC)c2)[nH]c2n1C(C)(c1ccc(F)cc1)CCN=2
InChIInChI=1S/C25H25FN6O/c1-16-14-31(15-29-16)21-9-4-17(13-22(21)33-3)12-20-23(27)32-24(30-20)28-11-10-25(32,2)18-5-7-19(26)8-6-18/h4-9,12-15,27H,10-11H2,1-3H3,(H,28,30)/b20-12-,27-23+
InChIKeyCVXXRFLAHAXOIC-IKKNYDNDSA-N
MW444.51 g/mol
LogP2.55
Rot. Bonds4

About (2Z)-5-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5-methyl-6,7-dihydro-1H-imidazo[1,2-a]pyrimidin-3-imine

(2Z)-5-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5-methyl-6,7-dihydro-1H-imidazo[1,2-a]pyrimidin-3-imine (PubChem CID 25184858) has the molecular formula C25H25FN6O and a molecular weight of 444.51 g/mol. Its IUPAC name is (2Z)-5-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5-methyl-6,7-dihydro-1H-imidazo[1,2-a]pyrimidin-3-imine.

Molecular Properties

Compound Name(2Z)-5-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5-methyl-6,7-dihydro-1H-imidazo[1,2-a]pyrimidin-3-imine
PubChem CID25184858
Molecular FormulaC25H25FN6O
Molecular Weight444.51 g/mol
Exact Mass444.21
IUPAC Name(2Z)-5-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5-methyl-6,7-dihydro-1H-imidazo[1,2-a]pyrimidin-3-imine
SMILES[H]/N=c1\c(=C\c2ccc(-n3cnc(C)c3)c(OC)c2)[nH]c2n1C(C)(c1ccc(F)cc1)CCN=2
InChIInChI=1S/C25H25FN6O/c1-16-14-31(15-29-16)21-9-4-17(13-22(21)33-3)12-20-23(27)32-24(30-20)28-11-10-25(32,2)18-5-7-19(26)8-6-18/h4-9,12-15,27H,10-11H2,1-3H3,(H,28,30)/b20-12-,27-23+
InChIKeyCVXXRFLAHAXOIC-IKKNYDNDSA-N
XLogP2.55
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2Z)-5-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5-methyl-6,7-dihydro-1H-imidazo[1,2-a]pyrimidin-3-imine with MolForge

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

Launch Full Analysis

Related Compounds

5-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5-methyl-6,7-dihydro-1H-imidazo[1,2-a]pyrimidin-3-one
CID 74402818
5-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1,5-dimethyl-6,7-dihydroimidazo[1,2-a]pyrimidin-3-one
CID 74402717
(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[6,8-dihydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-7,1'-cyclopropane]
CID 42610533
(2E)-8-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-8-methyl-3,4,4a,5,6,7-hexahydropyrido[1,2-b]thiazine 1,1-dioxide
CID 25184555
ethane;(6Z)-3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,7-dihydro-2H-imidazo[1,2-a]imidazol-5-one
CID 143760379
(3S,3aS,7E)-3-(4-fluorophenyl)-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3a,4,5,6-tetrahydro-2,1-benzoxazole
CID 59502170
(4S,9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-3,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine
CID 46201984
(9E)-4-(4-fluorophenyl)-4-(hydroxymethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-3,8-dihydro-2H-pyrimido[1,6-a]pyrimidin-6-one
CID 59528014
(4E)-2-[1-(4-fluorophenyl)ethyl]-1-imino-4-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4a-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
CID 25185317
N-methoxy-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-4-phenyl-2,3,8,9-tetrahydropyrido[1,2-a]pyrimidin-6-imine
CID 76692576
8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-one
CID 25142140
(3S,7Z)-3-(4-fluorophenyl)-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-4,5-dihydro-3aH-pyrano[3,4-c][1,2]oxazole
CID 25143879

Frequently Asked Questions

What is the IUPAC name of (2Z)-5-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5-methyl-6,7-dihydro-1H-imidazo[1,2-a]pyrimidin-3-imine?
The IUPAC name of (2Z)-5-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5-methyl-6,7-dihydro-1H-imidazo[1,2-a]pyrimidin-3-imine (CID 25184858) is (2Z)-5-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5-methyl-6,7-dihydro-1H-imidazo[1,2-a]pyrimidin-3-imine.
What is the SMILES notation for (2Z)-5-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5-methyl-6,7-dihydro-1H-imidazo[1,2-a]pyrimidin-3-imine?
The canonical SMILES for (2Z)-5-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5-methyl-6,7-dihydro-1H-imidazo[1,2-a]pyrimidin-3-imine is [H]/N=c1\c(=C\c2ccc(-n3cnc(C)c3)c(OC)c2)[nH]c2n1C(C)(c1ccc(F)cc1)CCN=2.
What is the InChIKey of (2Z)-5-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5-methyl-6,7-dihydro-1H-imidazo[1,2-a]pyrimidin-3-imine?
The InChIKey is CVXXRFLAHAXOIC-IKKNYDNDSA-N. The full InChI is InChI=1S/C25H25FN6O/c1-16-14-31(15-29-16)21-9-4-17(13-22(21)33-3)12-20-23(27)32-24(30-20)28-11-10-25(32,2)18-5-7-19(26)8-6-18/h4-9,12-15,27H,10-11H2,1-3H3,(H,28,30)/b20-12-,27-23+.
What are the key properties of (2Z)-5-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5-methyl-6,7-dihydro-1H-imidazo[1,2-a]pyrimidin-3-imine?
(2Z)-5-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5-methyl-6,7-dihydro-1H-imidazo[1,2-a]pyrimidin-3-imine has a molecular weight of 444.51 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5-methyl-6,7-dihydro-1H-imidazo[1,2-a]pyrimidin-3-imine is sourced from PubChem (CID 25184858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).