3-pyrimido[1,2-a]benzimidazol-2-ylphenol

C16H11N3O — CID 58362501

IUPAC3-pyrimido[1,2-a]benzimidazol-2-ylphenol
SMILESOc1cccc(-c2ccn3c(n2)nc2ccccc23)c1
InChIInChI=1S/C16H11N3O/c20-12-5-3-4-11(10-12)13-8-9-19-15-7-2-1-6-14(15)18-16(19)17-13/h1-10,20H
InChIKeyFWLWDKAXXFRRDA-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.26
Rot. Bonds1

About 3-pyrimido[1,2-a]benzimidazol-2-ylphenol

3-pyrimido[1,2-a]benzimidazol-2-ylphenol (PubChem CID 58362501) has the molecular formula C16H11N3O and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-pyrimido[1,2-a]benzimidazol-2-ylphenol.

Molecular Properties

Compound Name3-pyrimido[1,2-a]benzimidazol-2-ylphenol
PubChem CID58362501
Molecular FormulaC16H11N3O
Molecular Weight261.28 g/mol
Exact Mass261.09
IUPAC Name3-pyrimido[1,2-a]benzimidazol-2-ylphenol
SMILESOc1cccc(-c2ccn3c(n2)nc2ccccc23)c1
InChIInChI=1S/C16H11N3O/c20-12-5-3-4-11(10-12)13-8-9-19-15-7-2-1-6-14(15)18-16(19)17-13/h1-10,20H
InChIKeyFWLWDKAXXFRRDA-UHFFFAOYSA-N
XLogP3.26
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[2,6-bis(4-quinolin-2-ylphenyl)-4-pyridinyl]phenyl]pyrimido[1,2-a]benzimidazole
CID 148614983
N-(3-fluoropropyl)-4-pyrimido[1,2-a]benzimidazol-2-ylaniline
CID 53340869
N,N-dimethyl-4-pyrimido[1,2-a]benzimidazol-2-ylaniline;bis(2,2,2-trifluoroacetic acid)
CID 87114986
2-(2-fluoro-3-pyridinyl)pyrimido[1,2-a]benzimidazole
CID 142712947
3-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)phenol
CID 4842961
2-ethylpyrimido[1,2-a]benzimidazole
CID 86020727
2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole
CID 11851221
3-[[2-(3-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol
CID 888730
1-pyrimido[1,2-a]benzimidazol-2-ylazetidin-3-ol
CID 58362653
2-[2-(3-hydroxyphenyl)benzimidazol-1-yl]butanoic acid
CID 82162057
bis(2-amino-5-pyrimido[1,2-a]benzimidazol-2-ylphenol);1-bromo-2-fluoroethane;deuterio(fluoro)methane;2-(2-fluoroethoxy)-4-pyrimido[1,2-a]benzimidazol-2-ylaniline;methane;2-methoxy-4-pyrimido[1,2-a]benzimidazol-2-ylaniline;trihydrobromide
CID 159600490
3-[3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-2-yl]phenol
CID 5116850

Frequently Asked Questions

What is the IUPAC name of 3-pyrimido[1,2-a]benzimidazol-2-ylphenol?
The IUPAC name of 3-pyrimido[1,2-a]benzimidazol-2-ylphenol (CID 58362501) is 3-pyrimido[1,2-a]benzimidazol-2-ylphenol.
What is the SMILES notation for 3-pyrimido[1,2-a]benzimidazol-2-ylphenol?
The canonical SMILES for 3-pyrimido[1,2-a]benzimidazol-2-ylphenol is Oc1cccc(-c2ccn3c(n2)nc2ccccc23)c1.
What is the InChIKey of 3-pyrimido[1,2-a]benzimidazol-2-ylphenol?
The InChIKey is FWLWDKAXXFRRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O/c20-12-5-3-4-11(10-12)13-8-9-19-15-7-2-1-6-14(15)18-16(19)17-13/h1-10,20H.
What are the key properties of 3-pyrimido[1,2-a]benzimidazol-2-ylphenol?
3-pyrimido[1,2-a]benzimidazol-2-ylphenol has a molecular weight of 261.28 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrimido[1,2-a]benzimidazol-2-ylphenol is sourced from PubChem (CID 58362501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).