1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzimidazol-2-amine

C17H16F3N3 — CID 924018

IUPAC1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzimidazol-2-amine
SMILESCC(C)n1c(Nc2cccc(C(F)(F)F)c2)nc2ccccc21
InChIInChI=1S/C17H16F3N3/c1-11(2)23-15-9-4-3-8-14(15)22-16(23)21-13-7-5-6-12(10-13)17(18,19)20/h3-11H,1-2H3,(H,21,22)
InChIKeyBJPPIUPXELRXCC-UHFFFAOYSA-N
MW319.33 g/mol
LogP5.38
Rot. Bonds3

About 1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzimidazol-2-amine

1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzimidazol-2-amine (PubChem CID 924018) has the molecular formula C17H16F3N3 and a molecular weight of 319.33 g/mol. Its IUPAC name is 1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzimidazol-2-amine
PubChem CID924018
Molecular FormulaC17H16F3N3
Molecular Weight319.33 g/mol
Exact Mass319.13
IUPAC Name1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzimidazol-2-amine
SMILESCC(C)n1c(Nc2cccc(C(F)(F)F)c2)nc2ccccc21
InChIInChI=1S/C17H16F3N3/c1-11(2)23-15-9-4-3-8-14(15)22-16(23)21-13-7-5-6-12(10-13)17(18,19)20/h3-11H,1-2H3,(H,21,22)
InChIKeyBJPPIUPXELRXCC-UHFFFAOYSA-N
XLogP5.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.33
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-propan-2-yl-2-(trifluoromethyl)benzimidazole
CID 888592
8-[[1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]naphthalen-2-ol
CID 11538242
[1-propan-2-yl-6-(trifluoromethyl)benzimidazol-2-yl]hydrazine
CID 115059612
2-propan-2-yl-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 110434800
N-[3-(trifluoromethyl)phenyl]acridin-9-amine
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N-[3-(trifluoromethyl)phenyl]acridin-9-amine;hydrochloride
CID 2790704
1-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]imidazol-2-amine
CID 106556215
2-fluoro-1-propan-2-ylbenzimidazole
CID 141105255
2-chloro-N-[1-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029844
(4S)-4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 79246569
2-(2-cyclopropylbenzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 17028781
8-N-phenyl-9-propan-2-yl-6-N-[[3-(trifluoromethyl)phenyl]methyl]purine-6,8-diamine
CID 117093011

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzimidazol-2-amine?
The IUPAC name of 1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzimidazol-2-amine (CID 924018) is 1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzimidazol-2-amine.
What is the SMILES notation for 1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzimidazol-2-amine?
The canonical SMILES for 1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzimidazol-2-amine is CC(C)n1c(Nc2cccc(C(F)(F)F)c2)nc2ccccc21.
What is the InChIKey of 1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzimidazol-2-amine?
The InChIKey is BJPPIUPXELRXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3/c1-11(2)23-15-9-4-3-8-14(15)22-16(23)21-13-7-5-6-12(10-13)17(18,19)20/h3-11H,1-2H3,(H,21,22).
What are the key properties of 1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzimidazol-2-amine?
1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzimidazol-2-amine has a molecular weight of 319.33 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzimidazol-2-amine is sourced from PubChem (CID 924018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).