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

C24H19N3O4 — CID 141255693

IUPAC5-methoxy-2-[3-(4-methoxyphenyl)pyrimido[1,2-a]benzimidazol-2-yl]benzene-1,3-diol
SMILESCOc1ccc(-c2cn3c(nc2-c2c(O)cc(OC)cc2O)nc2ccccc23)cc1
InChIInChI=1S/C24H19N3O4/c1-30-15-9-7-14(8-10-15)17-13-27-19-6-4-3-5-18(19)25-24(27)26-23(17)22-20(28)11-16(31-2)12-21(22)29/h3-13,28-29H,1-2H3
InChIKeyLNBDTBHJQPDPMW-UHFFFAOYSA-N
MW413.43 g/mol
LogP4.64
Rot. Bonds4

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

5-methoxy-2-[3-(4-methoxyphenyl)pyrimido[1,2-a]benzimidazol-2-yl]benzene-1,3-diol (PubChem CID 141255693) has the molecular formula C24H19N3O4 and a molecular weight of 413.43 g/mol. Its IUPAC name is 5-methoxy-2-[3-(4-methoxyphenyl)pyrimido[1,2-a]benzimidazol-2-yl]benzene-1,3-diol.

Molecular Properties

Compound Name5-methoxy-2-[3-(4-methoxyphenyl)pyrimido[1,2-a]benzimidazol-2-yl]benzene-1,3-diol
PubChem CID141255693
Molecular FormulaC24H19N3O4
Molecular Weight413.43 g/mol
Exact Mass413.14
IUPAC Name5-methoxy-2-[3-(4-methoxyphenyl)pyrimido[1,2-a]benzimidazol-2-yl]benzene-1,3-diol
SMILESCOc1ccc(-c2cn3c(nc2-c2c(O)cc(OC)cc2O)nc2ccccc23)cc1
InChIInChI=1S/C24H19N3O4/c1-30-15-9-7-14(8-10-15)17-13-27-19-6-4-3-5-18(19)25-24(27)26-23(17)22-20(28)11-16(31-2)12-21(22)29/h3-13,28-29H,1-2H3
InChIKeyLNBDTBHJQPDPMW-UHFFFAOYSA-N
XLogP4.64
TPSA89.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-methoxy-2-[3-(4-methoxyphenyl)pyrimido[1,2-a]benzimidazol-2-yl]phenol
CID 141255708
2-[3-(4-hydroxyphenyl)pyrimido[1,2-a]benzimidazol-2-yl]-5-methoxyphenol
CID 141255709
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-(4-methoxyphenyl)phenol
CID 10933283
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
2-(4-methoxyphenyl)imidazo[1,2-a]quinoxalin-4-amine
CID 25253879
benzene-1,2-diol;4-methoxyphenol
CID 70292826
4-(4-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyridine-2,3-diamine
CID 118094724
3,4-dimethoxy-2-(4-methoxyphenyl)-5-phenylphenol
CID 139590135
2-(1-butylbenzimidazol-2-yl)-5-methoxyphenol
CID 136726170

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[3-(4-methoxyphenyl)pyrimido[1,2-a]benzimidazol-2-yl]benzene-1,3-diol?
The IUPAC name of 5-methoxy-2-[3-(4-methoxyphenyl)pyrimido[1,2-a]benzimidazol-2-yl]benzene-1,3-diol (CID 141255693) is 5-methoxy-2-[3-(4-methoxyphenyl)pyrimido[1,2-a]benzimidazol-2-yl]benzene-1,3-diol.
What is the SMILES notation for 5-methoxy-2-[3-(4-methoxyphenyl)pyrimido[1,2-a]benzimidazol-2-yl]benzene-1,3-diol?
The canonical SMILES for 5-methoxy-2-[3-(4-methoxyphenyl)pyrimido[1,2-a]benzimidazol-2-yl]benzene-1,3-diol is COc1ccc(-c2cn3c(nc2-c2c(O)cc(OC)cc2O)nc2ccccc23)cc1.
What is the InChIKey of 5-methoxy-2-[3-(4-methoxyphenyl)pyrimido[1,2-a]benzimidazol-2-yl]benzene-1,3-diol?
The InChIKey is LNBDTBHJQPDPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O4/c1-30-15-9-7-14(8-10-15)17-13-27-19-6-4-3-5-18(19)25-24(27)26-23(17)22-20(28)11-16(31-2)12-21(22)29/h3-13,28-29H,1-2H3.
What are the key properties of 5-methoxy-2-[3-(4-methoxyphenyl)pyrimido[1,2-a]benzimidazol-2-yl]benzene-1,3-diol?
5-methoxy-2-[3-(4-methoxyphenyl)pyrimido[1,2-a]benzimidazol-2-yl]benzene-1,3-diol has a molecular weight of 413.43 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 7 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]benzene-1,3-diol is sourced from PubChem (CID 141255693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).