6-[2-(trifluoromethoxy)phenyl]benzimidazolo[1,2-c]quinazoline

C21H12F3N3O — CID 70651726

IUPAC6-[2-(trifluoromethoxy)phenyl]benzimidazolo[1,2-c]quinazoline
SMILESFC(F)(F)Oc1ccccc1-c1nc2ccccc2c2nc3ccccc3n12
InChIInChI=1S/C21H12F3N3O/c22-21(23,24)28-18-12-6-2-8-14(18)20-25-15-9-3-1-7-13(15)19-26-16-10-4-5-11-17(16)27(19)20/h1-12H
InChIKeyAWSYTWVADXWOMU-UHFFFAOYSA-N
MW379.34 g/mol
LogP5.60
Rot. Bonds2

About 6-[2-(trifluoromethoxy)phenyl]benzimidazolo[1,2-c]quinazoline

6-[2-(trifluoromethoxy)phenyl]benzimidazolo[1,2-c]quinazoline (PubChem CID 70651726) has the molecular formula C21H12F3N3O and a molecular weight of 379.34 g/mol. Its IUPAC name is 6-[2-(trifluoromethoxy)phenyl]benzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name6-[2-(trifluoromethoxy)phenyl]benzimidazolo[1,2-c]quinazoline
PubChem CID70651726
Molecular FormulaC21H12F3N3O
Molecular Weight379.34 g/mol
Exact Mass379.09
IUPAC Name6-[2-(trifluoromethoxy)phenyl]benzimidazolo[1,2-c]quinazoline
SMILESFC(F)(F)Oc1ccccc1-c1nc2ccccc2c2nc3ccccc3n12
InChIInChI=1S/C21H12F3N3O/c22-21(23,24)28-18-12-6-2-8-14(18)20-25-15-9-3-1-7-13(15)19-26-16-10-4-5-11-17(16)27(19)20/h1-12H
InChIKeyAWSYTWVADXWOMU-UHFFFAOYSA-N
XLogP5.60
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.34
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-phenoxyphenyl)benzimidazolo[1,2-c]quinazoline
CID 70651031
6-(4-methoxyphenyl)benzimidazolo[1,2-c]quinazoline
CID 12826322
6-(3,5-diphenylphenyl)benzimidazolo[1,2-c]quinazoline
CID 70652103
6-[3-[3,5-bis[3-(benzimidazolo[1,2-c]quinazolin-6-yl)phenyl]phenyl]phenyl]benzimidazolo[1,2-c]quinazoline
CID 58894944
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
6-(4,6-diphenyl-2-pyridinyl)benzimidazolo[1,2-c]quinazoline
CID 70807699
6-[4-(10-methylanthracen-9-yl)phenyl]benzimidazolo[1,2-c]quinazoline
CID 143486488
2-(benzimidazolo[1,2-c]quinazolin-6-yl)-4,7-dimethoxy-1,3-benzothiazole
CID 11058721
6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]benzimidazolo[1,2-c]quinazoline
CID 70807705
iridium;6-(2-phenylphenyl)-1H-benzimidazolo[1,2-c]quinazolin-1-ide
CID 140604477
6-[2,4,6-tri(propan-2-yl)phenyl]benzimidazolo[1,2-c]quinazoline
CID 70651023
ethane;4-methyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 145358346

Frequently Asked Questions

What is the IUPAC name of 6-[2-(trifluoromethoxy)phenyl]benzimidazolo[1,2-c]quinazoline?
The IUPAC name of 6-[2-(trifluoromethoxy)phenyl]benzimidazolo[1,2-c]quinazoline (CID 70651726) is 6-[2-(trifluoromethoxy)phenyl]benzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 6-[2-(trifluoromethoxy)phenyl]benzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 6-[2-(trifluoromethoxy)phenyl]benzimidazolo[1,2-c]quinazoline is FC(F)(F)Oc1ccccc1-c1nc2ccccc2c2nc3ccccc3n12.
What is the InChIKey of 6-[2-(trifluoromethoxy)phenyl]benzimidazolo[1,2-c]quinazoline?
The InChIKey is AWSYTWVADXWOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F3N3O/c22-21(23,24)28-18-12-6-2-8-14(18)20-25-15-9-3-1-7-13(15)19-26-16-10-4-5-11-17(16)27(19)20/h1-12H.
What are the key properties of 6-[2-(trifluoromethoxy)phenyl]benzimidazolo[1,2-c]quinazoline?
6-[2-(trifluoromethoxy)phenyl]benzimidazolo[1,2-c]quinazoline has a molecular weight of 379.34 g/mol, XLogP of 5.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(trifluoromethoxy)phenyl]benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 70651726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).