(5Z)-5-benzylidene-4-(4-methoxyphenyl)-2,6-diphenyl-2,6-dihydro-1H-pyrimidine

C30H26N2O — CID 5384054

IUPAC(5Z)-5-benzylidene-4-(4-methoxyphenyl)-2,6-diphenyl-2,6-dihydro-1H-pyrimidine
SMILESCOc1ccc(C2=NC(c3ccccc3)NC(c3ccccc3)/C2=C/c2ccccc2)cc1
InChIInChI=1S/C30H26N2O/c1-33-26-19-17-24(18-20-26)29-27(21-22-11-5-2-6-12-22)28(23-13-7-3-8-14-23)31-30(32-29)25-15-9-4-10-16-25/h2-21,28,30-31H,1H3/b27-21-
InChIKeyZEIIDUZHZIKNNM-MEFGMAGPSA-N
MW430.55 g/mol
LogP6.61
Rot. Bonds5

About (5Z)-5-benzylidene-4-(4-methoxyphenyl)-2,6-diphenyl-2,6-dihydro-1H-pyrimidine

(5Z)-5-benzylidene-4-(4-methoxyphenyl)-2,6-diphenyl-2,6-dihydro-1H-pyrimidine (PubChem CID 5384054) has the molecular formula C30H26N2O and a molecular weight of 430.55 g/mol. Its IUPAC name is (5Z)-5-benzylidene-4-(4-methoxyphenyl)-2,6-diphenyl-2,6-dihydro-1H-pyrimidine.

Molecular Properties

Compound Name(5Z)-5-benzylidene-4-(4-methoxyphenyl)-2,6-diphenyl-2,6-dihydro-1H-pyrimidine
PubChem CID5384054
Molecular FormulaC30H26N2O
Molecular Weight430.55 g/mol
Exact Mass430.20
IUPAC Name(5Z)-5-benzylidene-4-(4-methoxyphenyl)-2,6-diphenyl-2,6-dihydro-1H-pyrimidine
SMILESCOc1ccc(C2=NC(c3ccccc3)NC(c3ccccc3)/C2=C/c2ccccc2)cc1
InChIInChI=1S/C30H26N2O/c1-33-26-19-17-24(18-20-26)29-27(21-22-11-5-2-6-12-22)28(23-13-7-3-8-14-23)31-30(32-29)25-15-9-4-10-16-25/h2-21,28,30-31H,1H3/b27-21-
InChIKeyZEIIDUZHZIKNNM-MEFGMAGPSA-N
XLogP6.61
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5Z)-5-benzylidene-4-(4-methoxyphenyl)-2,6-diphenyl-2,6-dihydro-1H-pyrimidine 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

(3Z)-3-benzylidene-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 10640985
(2Z)-2-[(4-methoxyphenyl)methylidene]-3-phenylcyclohexan-1-one
CID 68642813
(2E,6Z)-2-[(4-methoxyphenyl)methylidene]-6-[(4-phenylphenyl)methylidene]cyclohexan-1-one
CID 2313566
(4-methoxyphenyl)-(4-phenyliodoniophenyl)iodanium
CID 10259813
1-methoxy-4-(3-phenylcyclobutyl)benzene
CID 125465439
2-[(2R,6R)-2-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]phenol
CID 94485500
(2S)-4-(4-methoxyphenyl)-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepine
CID 754108
(4-methoxyphenyl)-phenyliodanium bromide
CID 11058256
(1S,2S,4E)-4-benzylidene-2-(4-methoxyphenyl)-1-phenyl-1,2,5,6,7,7a-hexahydroindene
CID 102258442
(2R,4S)-2-(4-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazoline
CID 129404319
(2R,6S)-2-ethyl-5-methoxy-6-phenyl-1,2,3,6-tetrahydropyridine
CID 102016733
(4-methoxyphenyl)-(2-phenylethenyl)iodanium
CID 88650705

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-benzylidene-4-(4-methoxyphenyl)-2,6-diphenyl-2,6-dihydro-1H-pyrimidine?
The IUPAC name of (5Z)-5-benzylidene-4-(4-methoxyphenyl)-2,6-diphenyl-2,6-dihydro-1H-pyrimidine (CID 5384054) is (5Z)-5-benzylidene-4-(4-methoxyphenyl)-2,6-diphenyl-2,6-dihydro-1H-pyrimidine.
What is the SMILES notation for (5Z)-5-benzylidene-4-(4-methoxyphenyl)-2,6-diphenyl-2,6-dihydro-1H-pyrimidine?
The canonical SMILES for (5Z)-5-benzylidene-4-(4-methoxyphenyl)-2,6-diphenyl-2,6-dihydro-1H-pyrimidine is COc1ccc(C2=NC(c3ccccc3)NC(c3ccccc3)/C2=C/c2ccccc2)cc1.
What is the InChIKey of (5Z)-5-benzylidene-4-(4-methoxyphenyl)-2,6-diphenyl-2,6-dihydro-1H-pyrimidine?
The InChIKey is ZEIIDUZHZIKNNM-MEFGMAGPSA-N. The full InChI is InChI=1S/C30H26N2O/c1-33-26-19-17-24(18-20-26)29-27(21-22-11-5-2-6-12-22)28(23-13-7-3-8-14-23)31-30(32-29)25-15-9-4-10-16-25/h2-21,28,30-31H,1H3/b27-21-.
What are the key properties of (5Z)-5-benzylidene-4-(4-methoxyphenyl)-2,6-diphenyl-2,6-dihydro-1H-pyrimidine?
(5Z)-5-benzylidene-4-(4-methoxyphenyl)-2,6-diphenyl-2,6-dihydro-1H-pyrimidine has a molecular weight of 430.55 g/mol, XLogP of 6.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-benzylidene-4-(4-methoxyphenyl)-2,6-diphenyl-2,6-dihydro-1H-pyrimidine is sourced from PubChem (CID 5384054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).