2-(2-fluoro-3-pyridinyl)pyrimido[1,2-a]benzimidazole

C15H9FN4 — CID 142712947

IUPAC2-(2-fluoro-3-pyridinyl)pyrimido[1,2-a]benzimidazole
SMILESFc1ncccc1-c1ccn2c(n1)nc1ccccc12
InChIInChI=1S/C15H9FN4/c16-14-10(4-3-8-17-14)11-7-9-20-13-6-2-1-5-12(13)19-15(20)18-11/h1-9H
InChIKeyCCPDIRFJNFPZCZ-UHFFFAOYSA-N
MW264.26 g/mol
LogP3.08
Rot. Bonds1

About 2-(2-fluoro-3-pyridinyl)pyrimido[1,2-a]benzimidazole

2-(2-fluoro-3-pyridinyl)pyrimido[1,2-a]benzimidazole (PubChem CID 142712947) has the molecular formula C15H9FN4 and a molecular weight of 264.26 g/mol. Its IUPAC name is 2-(2-fluoro-3-pyridinyl)pyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-(2-fluoro-3-pyridinyl)pyrimido[1,2-a]benzimidazole
PubChem CID142712947
Molecular FormulaC15H9FN4
Molecular Weight264.26 g/mol
Exact Mass264.08
IUPAC Name2-(2-fluoro-3-pyridinyl)pyrimido[1,2-a]benzimidazole
SMILESFc1ncccc1-c1ccn2c(n1)nc1ccccc12
InChIInChI=1S/C15H9FN4/c16-14-10(4-3-8-17-14)11-7-9-20-13-6-2-1-5-12(13)19-15(20)18-11/h1-9H
InChIKeyCCPDIRFJNFPZCZ-UHFFFAOYSA-N
XLogP3.08
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole
CID 11851221
3-pyrimido[1,2-a]benzimidazol-2-ylphenol
CID 58362501
N-(3-fluoropropyl)-4-pyrimido[1,2-a]benzimidazol-2-ylaniline
CID 53340869
2-ethylpyrimido[1,2-a]benzimidazole
CID 86020727
N,N-dimethyl-4-pyrimido[1,2-a]benzimidazol-2-ylaniline;bis(2,2,2-trifluoroacetic acid)
CID 87114986
N-pyridin-3-ylpyrimido[1,2-a]benzimidazole-2-carboxamide
CID 126617764
2-[3-[2,6-bis(4-quinolin-2-ylphenyl)-4-pyridinyl]phenyl]pyrimido[1,2-a]benzimidazole
CID 148614983
2-[(3S)-3-fluoropyrrolidin-1-yl]pyrimido[1,2-a]benzimidazole
CID 177185487
1-pyrimido[1,2-a]benzimidazol-2-ylazetidin-3-ol
CID 58362653
2-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimido[1,2-a]benzimidazole
CID 149013956
2-pentylpyrimido[1,2-a]benzimidazole
CID 67303420
4-(2-fluoro-3-pyridinyl)pyrimidine
CID 67036363

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-pyridinyl)pyrimido[1,2-a]benzimidazole?
The IUPAC name of 2-(2-fluoro-3-pyridinyl)pyrimido[1,2-a]benzimidazole (CID 142712947) is 2-(2-fluoro-3-pyridinyl)pyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 2-(2-fluoro-3-pyridinyl)pyrimido[1,2-a]benzimidazole?
The canonical SMILES for 2-(2-fluoro-3-pyridinyl)pyrimido[1,2-a]benzimidazole is Fc1ncccc1-c1ccn2c(n1)nc1ccccc12.
What is the InChIKey of 2-(2-fluoro-3-pyridinyl)pyrimido[1,2-a]benzimidazole?
The InChIKey is CCPDIRFJNFPZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN4/c16-14-10(4-3-8-17-14)11-7-9-20-13-6-2-1-5-12(13)19-15(20)18-11/h1-9H.
What are the key properties of 2-(2-fluoro-3-pyridinyl)pyrimido[1,2-a]benzimidazole?
2-(2-fluoro-3-pyridinyl)pyrimido[1,2-a]benzimidazole has a molecular weight of 264.26 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-pyridinyl)pyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 142712947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).