2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole

C11H6F3N3 — CID 11851221

IUPAC2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole
SMILESFC(F)(F)c1ccn2c(n1)nc1ccccc12
InChIInChI=1S/C11H6F3N3/c12-11(13,14)9-5-6-17-8-4-2-1-3-7(8)15-10(17)16-9/h1-6H
InChIKeyVPKVXFCARKTDRA-UHFFFAOYSA-N
MW237.18 g/mol
LogP2.90
Rot. Bonds

About 2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole

2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole (PubChem CID 11851221) has the molecular formula C11H6F3N3 and a molecular weight of 237.18 g/mol. Its IUPAC name is 2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole
PubChem CID11851221
Molecular FormulaC11H6F3N3
Molecular Weight237.18 g/mol
Exact Mass237.05
IUPAC Name2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole
SMILESFC(F)(F)c1ccn2c(n1)nc1ccccc12
InChIInChI=1S/C11H6F3N3/c12-11(13,14)9-5-6-17-8-4-2-1-3-7(8)15-10(17)16-9/h1-6H
InChIKeyVPKVXFCARKTDRA-UHFFFAOYSA-N
XLogP2.90
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethylpyrimido[1,2-a]benzimidazole
CID 86020727
2-(2-fluoro-3-pyridinyl)pyrimido[1,2-a]benzimidazole
CID 142712947
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
N,N-dimethyl-4-pyrimido[1,2-a]benzimidazol-2-ylaniline;bis(2,2,2-trifluoroacetic acid)
CID 87114986
4-(trifluoromethyl)imidazo[1,2-a]quinoxaline
CID 12911589
3-pyrimido[1,2-a]benzimidazol-2-ylphenol
CID 58362501
N-(2-methylphenyl)pyrimido[1,2-a]benzimidazol-2-amine
CID 155282919
N-(3-fluoropropyl)-4-pyrimido[1,2-a]benzimidazol-2-ylaniline
CID 53340869
2-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)ethane-1,1,1-triol
CID 166811396

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole?
The IUPAC name of 2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole (CID 11851221) is 2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole?
The canonical SMILES for 2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole is FC(F)(F)c1ccn2c(n1)nc1ccccc12.
What is the InChIKey of 2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole?
The InChIKey is VPKVXFCARKTDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3N3/c12-11(13,14)9-5-6-17-8-4-2-1-3-7(8)15-10(17)16-9/h1-6H.
What are the key properties of 2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole?
2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole has a molecular weight of 237.18 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 11851221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).