2-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine

C13H13F4N3 — CID 79799089

IUPAC2-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine
SMILESCC(N)(c1nc2cc(F)ccc2n1C1CC1)C(F)(F)F
InChIInChI=1S/C13H13F4N3/c1-12(18,13(15,16)17)11-19-9-6-7(14)2-5-10(9)20(11)8-3-4-8/h2,5-6,8H,3-4,18H2,1H3
InChIKeyLGTRLAIDGZQQBT-UHFFFAOYSA-N
MW287.26 g/mol
LogP3.25
Rot. Bonds2

About 2-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine

2-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine (PubChem CID 79799089) has the molecular formula C13H13F4N3 and a molecular weight of 287.26 g/mol. Its IUPAC name is 2-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine.

Molecular Properties

Compound Name2-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine
PubChem CID79799089
Molecular FormulaC13H13F4N3
Molecular Weight287.26 g/mol
Exact Mass287.10
IUPAC Name2-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine
SMILESCC(N)(c1nc2cc(F)ccc2n1C1CC1)C(F)(F)F
InChIInChI=1S/C13H13F4N3/c1-12(18,13(15,16)17)11-19-9-6-7(14)2-5-10(9)20(11)8-3-4-8/h2,5-6,8H,3-4,18H2,1H3
InChIKeyLGTRLAIDGZQQBT-UHFFFAOYSA-N
XLogP3.25
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.26
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine
CID 115473334
2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine
CID 115427820
1-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine
CID 60784858
5-fluoro-1-(4-propylcyclohexyl)benzimidazol-2-amine
CID 63546950
1-cyclobutyl-5-fluoro-2-methylbenzimidazole
CID 139518340
3-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
CID 60785646
5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)benzene-1,3-diamine
CID 107811484
4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine
CID 79397633
3-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-methylaniline
CID 54595254
2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-1-amine
CID 115427812
4-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 60784546
1-cyclopropyl-2-(diethoxymethyl)-5-fluorobenzimidazole
CID 63770973

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine?
The IUPAC name of 2-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine (CID 79799089) is 2-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine.
What is the SMILES notation for 2-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine?
The canonical SMILES for 2-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine is CC(N)(c1nc2cc(F)ccc2n1C1CC1)C(F)(F)F.
What is the InChIKey of 2-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine?
The InChIKey is LGTRLAIDGZQQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F4N3/c1-12(18,13(15,16)17)11-19-9-6-7(14)2-5-10(9)20(11)8-3-4-8/h2,5-6,8H,3-4,18H2,1H3.
What are the key properties of 2-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine?
2-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine has a molecular weight of 287.26 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine is sourced from PubChem (CID 79799089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).