1-pyrimido[1,2-a]benzimidazol-2-ylazetidin-3-ol

C13H12N4O — CID 58362653

IUPAC1-pyrimido[1,2-a]benzimidazol-2-ylazetidin-3-ol
SMILESOC1CN(c2ccn3c(n2)nc2ccccc23)C1
InChIInChI=1S/C13H12N4O/c18-9-7-16(8-9)12-5-6-17-11-4-2-1-3-10(11)14-13(17)15-12/h1-6,9,18H,7-8H2
InChIKeyXZHQWNXVPKEBMI-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.06
Rot. Bonds1

About 1-pyrimido[1,2-a]benzimidazol-2-ylazetidin-3-ol

1-pyrimido[1,2-a]benzimidazol-2-ylazetidin-3-ol (PubChem CID 58362653) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 1-pyrimido[1,2-a]benzimidazol-2-ylazetidin-3-ol.

Molecular Properties

Compound Name1-pyrimido[1,2-a]benzimidazol-2-ylazetidin-3-ol
PubChem CID58362653
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name1-pyrimido[1,2-a]benzimidazol-2-ylazetidin-3-ol
SMILESOC1CN(c2ccn3c(n2)nc2ccccc23)C1
InChIInChI=1S/C13H12N4O/c18-9-7-16(8-9)12-5-6-17-11-4-2-1-3-10(11)14-13(17)15-12/h1-6,9,18H,7-8H2
InChIKeyXZHQWNXVPKEBMI-UHFFFAOYSA-N
XLogP1.06
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)ethane-1,1,1-triol
CID 166811396
2-[4-[2-(9H-fluoren-1-yl)ethyl]piperidin-1-yl]pyrimido[1,2-a]benzimidazole
CID 177311837
[1,1-dideuterio-2-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)ethyl] benzoate
CID 155272482
2-ethylpyrimido[1,2-a]benzimidazole
CID 86020727
2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole
CID 11851221
2-[4-(2-fluoroethyl)piperidin-1-yl]-7-tritiopyrimido[1,2-a]benzimidazole
CID 140959426
N-[6-(4-pyrimido[1,2-a]benzimidazol-2-ylpiperazin-1-yl)hexyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 176654993
2-[4-[2-(1,1,2-trideuterio-2-(18F)fluoropropoxy)ethyl]piperidin-1-yl]pyrimido[1,2-a]benzimidazole
CID 122520096
2-pentylpyrimido[1,2-a]benzimidazole
CID 67303420
tert-butyl 2-[2-[2-[2-oxo-2-(4-pyrimido[1,2-a]benzimidazol-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]acetate
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Frequently Asked Questions

What is the IUPAC name of 1-pyrimido[1,2-a]benzimidazol-2-ylazetidin-3-ol?
The IUPAC name of 1-pyrimido[1,2-a]benzimidazol-2-ylazetidin-3-ol (CID 58362653) is 1-pyrimido[1,2-a]benzimidazol-2-ylazetidin-3-ol.
What is the SMILES notation for 1-pyrimido[1,2-a]benzimidazol-2-ylazetidin-3-ol?
The canonical SMILES for 1-pyrimido[1,2-a]benzimidazol-2-ylazetidin-3-ol is OC1CN(c2ccn3c(n2)nc2ccccc23)C1.
What is the InChIKey of 1-pyrimido[1,2-a]benzimidazol-2-ylazetidin-3-ol?
The InChIKey is XZHQWNXVPKEBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c18-9-7-16(8-9)12-5-6-17-11-4-2-1-3-10(11)14-13(17)15-12/h1-6,9,18H,7-8H2.
What are the key properties of 1-pyrimido[1,2-a]benzimidazol-2-ylazetidin-3-ol?
1-pyrimido[1,2-a]benzimidazol-2-ylazetidin-3-ol has a molecular weight of 240.27 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimido[1,2-a]benzimidazol-2-ylazetidin-3-ol is sourced from PubChem (CID 58362653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).