1,1,1-trifluoro-3-(5-fluoro-1-propylbenzimidazol-2-yl)propan-2-one

C13H12F4N2O — CID 79872999

IUPAC1,1,1-trifluoro-3-(5-fluoro-1-propylbenzimidazol-2-yl)propan-2-one
SMILESCCCn1c(CC(=O)C(F)(F)F)nc2cc(F)ccc21
InChIInChI=1S/C13H12F4N2O/c1-2-5-19-10-4-3-8(14)6-9(10)18-12(19)7-11(20)13(15,16)17/h3-4,6H,2,5,7H2,1H3
InChIKeyBJWRIHZQDROXKU-UHFFFAOYSA-N
MW288.24 g/mol
LogP3.26
Rot. Bonds4

About 1,1,1-trifluoro-3-(5-fluoro-1-propylbenzimidazol-2-yl)propan-2-one

1,1,1-trifluoro-3-(5-fluoro-1-propylbenzimidazol-2-yl)propan-2-one (PubChem CID 79872999) has the molecular formula C13H12F4N2O and a molecular weight of 288.24 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(5-fluoro-1-propylbenzimidazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(5-fluoro-1-propylbenzimidazol-2-yl)propan-2-one
PubChem CID79872999
Molecular FormulaC13H12F4N2O
Molecular Weight288.24 g/mol
Exact Mass288.09
IUPAC Name1,1,1-trifluoro-3-(5-fluoro-1-propylbenzimidazol-2-yl)propan-2-one
SMILESCCCn1c(CC(=O)C(F)(F)F)nc2cc(F)ccc21
InChIInChI=1S/C13H12F4N2O/c1-2-5-19-10-4-3-8(14)6-9(10)18-12(19)7-11(20)13(15,16)17/h3-4,6H,2,5,7H2,1H3
InChIKeyBJWRIHZQDROXKU-UHFFFAOYSA-N
XLogP3.26
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.24
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-ethyl-5-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-one
CID 79872626
2-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]phenol
CID 80723234
N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methylpropan-2-amine
CID 63772507
4-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]aniline
CID 60785014
ethyl 5-fluoro-1-propylbenzimidazole-2-carboxylate
CID 55189985
2,5-difluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide
CID 18732565
3-(5-bromo-1-methylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-one
CID 79873273
N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclopropanamine
CID 60835697
3-(1-butyl-5-fluorobenzimidazol-2-yl)propan-1-ol
CID 82332280
(1-ethyl-5-fluorobenzimidazol-2-yl)methanol
CID 63756217
2-(5-fluoro-1-propylbenzimidazol-2-yl)-2-methylpropan-1-amine
CID 115427809
3-(5-chloro-1-propylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol
CID 79873183

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(5-fluoro-1-propylbenzimidazol-2-yl)propan-2-one?
The IUPAC name of 1,1,1-trifluoro-3-(5-fluoro-1-propylbenzimidazol-2-yl)propan-2-one (CID 79872999) is 1,1,1-trifluoro-3-(5-fluoro-1-propylbenzimidazol-2-yl)propan-2-one.
What is the SMILES notation for 1,1,1-trifluoro-3-(5-fluoro-1-propylbenzimidazol-2-yl)propan-2-one?
The canonical SMILES for 1,1,1-trifluoro-3-(5-fluoro-1-propylbenzimidazol-2-yl)propan-2-one is CCCn1c(CC(=O)C(F)(F)F)nc2cc(F)ccc21.
What is the InChIKey of 1,1,1-trifluoro-3-(5-fluoro-1-propylbenzimidazol-2-yl)propan-2-one?
The InChIKey is BJWRIHZQDROXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F4N2O/c1-2-5-19-10-4-3-8(14)6-9(10)18-12(19)7-11(20)13(15,16)17/h3-4,6H,2,5,7H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-(5-fluoro-1-propylbenzimidazol-2-yl)propan-2-one?
1,1,1-trifluoro-3-(5-fluoro-1-propylbenzimidazol-2-yl)propan-2-one has a molecular weight of 288.24 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(5-fluoro-1-propylbenzimidazol-2-yl)propan-2-one is sourced from PubChem (CID 79872999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).