5-methoxy-2-[3-(4-methoxyphenyl)pyrimido[1,2-a]benzimidazol-2-yl]phenol

C24H19N3O3 — CID 141255708

IUPAC5-methoxy-2-[3-(4-methoxyphenyl)pyrimido[1,2-a]benzimidazol-2-yl]phenol
SMILESCOc1ccc(-c2cn3c(nc2-c2ccc(OC)cc2O)nc2ccccc23)cc1
InChIInChI=1S/C24H19N3O3/c1-29-16-9-7-15(8-10-16)19-14-27-21-6-4-3-5-20(21)25-24(27)26-23(19)18-12-11-17(30-2)13-22(18)28/h3-14,28H,1-2H3
InChIKeyKXCQLAKNQJTKOR-UHFFFAOYSA-N
MW397.43 g/mol
LogP4.94
Rot. Bonds4

About 5-methoxy-2-[3-(4-methoxyphenyl)pyrimido[1,2-a]benzimidazol-2-yl]phenol

5-methoxy-2-[3-(4-methoxyphenyl)pyrimido[1,2-a]benzimidazol-2-yl]phenol (PubChem CID 141255708) has the molecular formula C24H19N3O3 and a molecular weight of 397.43 g/mol. Its IUPAC name is 5-methoxy-2-[3-(4-methoxyphenyl)pyrimido[1,2-a]benzimidazol-2-yl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[3-(4-methoxyphenyl)pyrimido[1,2-a]benzimidazol-2-yl]phenol
PubChem CID141255708
Molecular FormulaC24H19N3O3
Molecular Weight397.43 g/mol
Exact Mass397.14
IUPAC Name5-methoxy-2-[3-(4-methoxyphenyl)pyrimido[1,2-a]benzimidazol-2-yl]phenol
SMILESCOc1ccc(-c2cn3c(nc2-c2ccc(OC)cc2O)nc2ccccc23)cc1
InChIInChI=1S/C24H19N3O3/c1-29-16-9-7-15(8-10-16)19-14-27-21-6-4-3-5-20(21)25-24(27)26-23(19)18-12-11-17(30-2)13-22(18)28/h3-14,28H,1-2H3
InChIKeyKXCQLAKNQJTKOR-UHFFFAOYSA-N
XLogP4.94
TPSA68.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-methoxy-2-[3-(4-methoxyphenyl)pyrimido[1,2-a]benzimidazol-2-yl]phenol 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

2-[3-(4-hydroxyphenyl)pyrimido[1,2-a]benzimidazol-2-yl]-5-methoxyphenol
CID 141255709
5-methoxy-2-[3-(4-methoxyphenyl)pyrimido[1,2-a]benzimidazol-2-yl]benzene-1,3-diol
CID 141255693
5-methoxy-2-(4-methoxyphenyl)phenol
CID 10933283
2-[3-(2-hydroxy-4-methoxyphenyl)-5-(4-methoxyphenyl)phenyl]-5-methoxyphenol
CID 20730822
2-(1-butylbenzimidazol-2-yl)-5-methoxyphenol
CID 136726170
5-butan-2-yloxy-2-[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl]phenol
CID 135858207
3-(4-methoxyphenyl)pyrido[1,2-a]benzimidazole
CID 67300877
2-(4-methoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazole
CID 14174658
5-methoxy-2-[6-[4-methoxy-3,5-di(propan-2-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl]phenol
CID 135858209
4-[4-(2-hydroxy-4-methoxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol
CID 136946080
1-(4-methoxyphenyl)-3-(4-methylphenyl)pyrazino[1,2-a]benzimidazole
CID 51032413
4-methoxy-2-(4-methoxyphenyl)imidazo[1,2-a]quinoxaline
CID 67547841

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[3-(4-methoxyphenyl)pyrimido[1,2-a]benzimidazol-2-yl]phenol?
The IUPAC name of 5-methoxy-2-[3-(4-methoxyphenyl)pyrimido[1,2-a]benzimidazol-2-yl]phenol (CID 141255708) is 5-methoxy-2-[3-(4-methoxyphenyl)pyrimido[1,2-a]benzimidazol-2-yl]phenol.
What is the SMILES notation for 5-methoxy-2-[3-(4-methoxyphenyl)pyrimido[1,2-a]benzimidazol-2-yl]phenol?
The canonical SMILES for 5-methoxy-2-[3-(4-methoxyphenyl)pyrimido[1,2-a]benzimidazol-2-yl]phenol is COc1ccc(-c2cn3c(nc2-c2ccc(OC)cc2O)nc2ccccc23)cc1.
What is the InChIKey of 5-methoxy-2-[3-(4-methoxyphenyl)pyrimido[1,2-a]benzimidazol-2-yl]phenol?
The InChIKey is KXCQLAKNQJTKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3/c1-29-16-9-7-15(8-10-16)19-14-27-21-6-4-3-5-20(21)25-24(27)26-23(19)18-12-11-17(30-2)13-22(18)28/h3-14,28H,1-2H3.
What are the key properties of 5-methoxy-2-[3-(4-methoxyphenyl)pyrimido[1,2-a]benzimidazol-2-yl]phenol?
5-methoxy-2-[3-(4-methoxyphenyl)pyrimido[1,2-a]benzimidazol-2-yl]phenol has a molecular weight of 397.43 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[3-(4-methoxyphenyl)pyrimido[1,2-a]benzimidazol-2-yl]phenol is sourced from PubChem (CID 141255708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).