2-[3-(4-hydroxyphenyl)pyrimido[1,2-a]benzimidazol-2-yl]-5-methoxyphenol

C23H17N3O3 — CID 141255709

IUPAC2-[3-(4-hydroxyphenyl)pyrimido[1,2-a]benzimidazol-2-yl]-5-methoxyphenol
SMILESCOc1ccc(-c2nc3nc4ccccc4n3cc2-c2ccc(O)cc2)c(O)c1
InChIInChI=1S/C23H17N3O3/c1-29-16-10-11-17(21(28)12-16)22-18(14-6-8-15(27)9-7-14)13-26-20-5-3-2-4-19(20)24-23(26)25-22/h2-13,27-28H,1H3
InChIKeyNVSZZUWRYJVIND-UHFFFAOYSA-N
MW383.41 g/mol
LogP4.64
Rot. Bonds3

About 2-[3-(4-hydroxyphenyl)pyrimido[1,2-a]benzimidazol-2-yl]-5-methoxyphenol

2-[3-(4-hydroxyphenyl)pyrimido[1,2-a]benzimidazol-2-yl]-5-methoxyphenol (PubChem CID 141255709) has the molecular formula C23H17N3O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is 2-[3-(4-hydroxyphenyl)pyrimido[1,2-a]benzimidazol-2-yl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[3-(4-hydroxyphenyl)pyrimido[1,2-a]benzimidazol-2-yl]-5-methoxyphenol
PubChem CID141255709
Molecular FormulaC23H17N3O3
Molecular Weight383.41 g/mol
Exact Mass383.13
IUPAC Name2-[3-(4-hydroxyphenyl)pyrimido[1,2-a]benzimidazol-2-yl]-5-methoxyphenol
SMILESCOc1ccc(-c2nc3nc4ccccc4n3cc2-c2ccc(O)cc2)c(O)c1
InChIInChI=1S/C23H17N3O3/c1-29-16-10-11-17(21(28)12-16)22-18(14-6-8-15(27)9-7-14)13-26-20-5-3-2-4-19(20)24-23(26)25-22/h2-13,27-28H,1H3
InChIKeyNVSZZUWRYJVIND-UHFFFAOYSA-N
XLogP4.64
TPSA79.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methoxy-2-[3-(4-methoxyphenyl)pyrimido[1,2-a]benzimidazol-2-yl]phenol
CID 141255708
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
benzene-1,2-diol;4-methoxyphenol
CID 70292826
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
1-methoxy-4-phenylbenzene;4-(4-methoxyphenyl)phenol
CID 69347648
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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-hydroxyphenyl)pyrimido[1,2-a]benzimidazol-2-yl]-5-methoxyphenol?
The IUPAC name of 2-[3-(4-hydroxyphenyl)pyrimido[1,2-a]benzimidazol-2-yl]-5-methoxyphenol (CID 141255709) is 2-[3-(4-hydroxyphenyl)pyrimido[1,2-a]benzimidazol-2-yl]-5-methoxyphenol.
What is the SMILES notation for 2-[3-(4-hydroxyphenyl)pyrimido[1,2-a]benzimidazol-2-yl]-5-methoxyphenol?
The canonical SMILES for 2-[3-(4-hydroxyphenyl)pyrimido[1,2-a]benzimidazol-2-yl]-5-methoxyphenol is COc1ccc(-c2nc3nc4ccccc4n3cc2-c2ccc(O)cc2)c(O)c1.
What is the InChIKey of 2-[3-(4-hydroxyphenyl)pyrimido[1,2-a]benzimidazol-2-yl]-5-methoxyphenol?
The InChIKey is NVSZZUWRYJVIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O3/c1-29-16-10-11-17(21(28)12-16)22-18(14-6-8-15(27)9-7-14)13-26-20-5-3-2-4-19(20)24-23(26)25-22/h2-13,27-28H,1H3.
What are the key properties of 2-[3-(4-hydroxyphenyl)pyrimido[1,2-a]benzimidazol-2-yl]-5-methoxyphenol?
2-[3-(4-hydroxyphenyl)pyrimido[1,2-a]benzimidazol-2-yl]-5-methoxyphenol has a molecular weight of 383.41 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-hydroxyphenyl)pyrimido[1,2-a]benzimidazol-2-yl]-5-methoxyphenol is sourced from PubChem (CID 141255709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).