4-(3-phenylpyrimido[1,2-a]benzimidazol-4-yl)benzene-1,3-diol

C22H15N3O2 — CID 136824529

IUPAC4-(3-phenylpyrimido[1,2-a]benzimidazol-4-yl)benzene-1,3-diol
SMILESOc1ccc(-c2c(-c3ccccc3)cnc3nc4ccccc4n23)c(O)c1
InChIInChI=1S/C22H15N3O2/c26-15-10-11-16(20(27)12-15)21-17(14-6-2-1-3-7-14)13-23-22-24-18-8-4-5-9-19(18)25(21)22/h1-13,26-27H
InChIKeySCBYZPLFIKGGAK-UHFFFAOYSA-N
MW353.38 g/mol
LogP4.63
Rot. Bonds2

About 4-(3-phenylpyrimido[1,2-a]benzimidazol-4-yl)benzene-1,3-diol

4-(3-phenylpyrimido[1,2-a]benzimidazol-4-yl)benzene-1,3-diol (PubChem CID 136824529) has the molecular formula C22H15N3O2 and a molecular weight of 353.38 g/mol. Its IUPAC name is 4-(3-phenylpyrimido[1,2-a]benzimidazol-4-yl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(3-phenylpyrimido[1,2-a]benzimidazol-4-yl)benzene-1,3-diol
PubChem CID136824529
Molecular FormulaC22H15N3O2
Molecular Weight353.38 g/mol
Exact Mass353.12
IUPAC Name4-(3-phenylpyrimido[1,2-a]benzimidazol-4-yl)benzene-1,3-diol
SMILESOc1ccc(-c2c(-c3ccccc3)cnc3nc4ccccc4n23)c(O)c1
InChIInChI=1S/C22H15N3O2/c26-15-10-11-16(20(27)12-15)21-17(14-6-2-1-3-7-14)13-23-22-24-18-8-4-5-9-19(18)25(21)22/h1-13,26-27H
InChIKeySCBYZPLFIKGGAK-UHFFFAOYSA-N
XLogP4.63
TPSA70.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-phenylpyrimido[1,2-a]benzimidazol-2-amine
CID 2825239
2-(2-hydroxyphenyl)phenol;4-phenylbenzene-1,3-diol
CID 69274449
formaldehyde;4-phenylbenzene-1,3-diol
CID 174408267
5-methoxy-2-(2-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenol
CID 139216903
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-diphenylphenol;sulfane
CID 172728711
4-(4-phenanthren-9-ylphenyl)-2-phenylpyrimido[1,2-a]benzimidazole
CID 122503004
2-(4-naphthalen-1-ylphenyl)-4-phenylpyrimido[1,2-a]benzimidazole
CID 122502940
4-[4-(4-phenylpyrimido[1,2-a]benzimidazol-2-yl)naphthalen-1-yl]benzonitrile
CID 122504593
3-pyrimido[1,2-a]benzimidazol-2-ylphenol
CID 58362501
(4-ethylpyrimido[1,2-a]benzimidazol-3-yl)-phenyldiazene
CID 11358523

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylpyrimido[1,2-a]benzimidazol-4-yl)benzene-1,3-diol?
The IUPAC name of 4-(3-phenylpyrimido[1,2-a]benzimidazol-4-yl)benzene-1,3-diol (CID 136824529) is 4-(3-phenylpyrimido[1,2-a]benzimidazol-4-yl)benzene-1,3-diol.
What is the SMILES notation for 4-(3-phenylpyrimido[1,2-a]benzimidazol-4-yl)benzene-1,3-diol?
The canonical SMILES for 4-(3-phenylpyrimido[1,2-a]benzimidazol-4-yl)benzene-1,3-diol is Oc1ccc(-c2c(-c3ccccc3)cnc3nc4ccccc4n23)c(O)c1.
What is the InChIKey of 4-(3-phenylpyrimido[1,2-a]benzimidazol-4-yl)benzene-1,3-diol?
The InChIKey is SCBYZPLFIKGGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O2/c26-15-10-11-16(20(27)12-15)21-17(14-6-2-1-3-7-14)13-23-22-24-18-8-4-5-9-19(18)25(21)22/h1-13,26-27H.
What are the key properties of 4-(3-phenylpyrimido[1,2-a]benzimidazol-4-yl)benzene-1,3-diol?
4-(3-phenylpyrimido[1,2-a]benzimidazol-4-yl)benzene-1,3-diol has a molecular weight of 353.38 g/mol, XLogP of 4.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylpyrimido[1,2-a]benzimidazol-4-yl)benzene-1,3-diol is sourced from PubChem (CID 136824529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).