3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-one

C13H10F4N2O — CID 79873001

IUPAC3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-one
SMILESO=C(Cc1nc2ccc(F)cc2n1C1CC1)C(F)(F)F
InChIInChI=1S/C13H10F4N2O/c14-7-1-4-9-10(5-7)19(8-2-3-8)12(18-9)6-11(20)13(15,16)17/h1,4-5,8H,2-3,6H2
InChIKeySODCTJYZPSKYPW-UHFFFAOYSA-N
MW286.23 g/mol
LogP3.18
Rot. Bonds3

About 3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-one

3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-one (PubChem CID 79873001) has the molecular formula C13H10F4N2O and a molecular weight of 286.23 g/mol. Its IUPAC name is 3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-one.

Molecular Properties

Compound Name3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-one
PubChem CID79873001
Molecular FormulaC13H10F4N2O
Molecular Weight286.23 g/mol
Exact Mass286.07
IUPAC Name3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-one
SMILESO=C(Cc1nc2ccc(F)cc2n1C1CC1)C(F)(F)F
InChIInChI=1S/C13H10F4N2O/c14-7-1-4-9-10(5-7)19(8-2-3-8)12(18-9)6-11(20)13(15,16)17/h1,4-5,8H,2-3,6H2
InChIKeySODCTJYZPSKYPW-UHFFFAOYSA-N
XLogP3.18
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.23
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)acetic acid
CID 55067796
1-cyclopropyl-N-[(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methyl]methanamine
CID 55067892
2-(chloromethyl)-1-cyclobutyl-6-fluorobenzimidazole
CID 62414806
2-(chloromethyl)-1-cyclopentyl-6-fluorobenzimidazole
CID 62377893
4-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-3-methylbutanoic acid
CID 62932786
2-(chloromethyl)-6-fluoro-1-(oxan-4-yl)benzimidazole
CID 62377904
6-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)hexan-1-amine
CID 62378467
2-bromo-1-cyclopropyl-6-fluorobenzimidazole
CID 83844057
3-(1-ethyl-5-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-one
CID 79872626
2-(chloromethyl)-1-(3,4-dimethylcyclohexyl)-6-fluorobenzimidazole
CID 64743874
4-[(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 62376570
1,1,1-trifluoro-3-(5-fluoro-1-propylbenzimidazol-2-yl)propan-2-one
CID 79872999

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-one?
The IUPAC name of 3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-one (CID 79873001) is 3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-one.
What is the SMILES notation for 3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-one?
The canonical SMILES for 3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-one is O=C(Cc1nc2ccc(F)cc2n1C1CC1)C(F)(F)F.
What is the InChIKey of 3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-one?
The InChIKey is SODCTJYZPSKYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F4N2O/c14-7-1-4-9-10(5-7)19(8-2-3-8)12(18-9)6-11(20)13(15,16)17/h1,4-5,8H,2-3,6H2.
What are the key properties of 3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-one?
3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-one has a molecular weight of 286.23 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-one is sourced from PubChem (CID 79873001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).