2-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]benzimidazol-5-amine

C14H16F3N3 — CID 106216601

IUPAC2-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]benzimidazol-5-amine
SMILESCC(C)c1nc2cc(N)ccc2n1C1(C(F)(F)F)CC1
InChIInChI=1S/C14H16F3N3/c1-8(2)12-19-10-7-9(18)3-4-11(10)20(12)13(5-6-13)14(15,16)17/h3-4,7-8H,5-6,18H2,1-2H3
InChIKeyVDZLXDLNKXDFPP-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.79
Rot. Bonds2

About 2-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]benzimidazol-5-amine

2-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]benzimidazol-5-amine (PubChem CID 106216601) has the molecular formula C14H16F3N3 and a molecular weight of 283.30 g/mol. Its IUPAC name is 2-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]benzimidazol-5-amine.

Molecular Properties

Compound Name2-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]benzimidazol-5-amine
PubChem CID106216601
Molecular FormulaC14H16F3N3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC Name2-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]benzimidazol-5-amine
SMILESCC(C)c1nc2cc(N)ccc2n1C1(C(F)(F)F)CC1
InChIInChI=1S/C14H16F3N3/c1-8(2)12-19-10-7-9(18)3-4-11(10)20(12)13(5-6-13)14(15,16)17/h3-4,7-8H,5-6,18H2,1-2H3
InChIKeyVDZLXDLNKXDFPP-UHFFFAOYSA-N
XLogP3.79
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-propan-2-yl-1-propylbenzimidazol-5-amine
CID 43830820
2-propan-2-yl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazol-5-amine
CID 79360481
2-(1-chloroethyl)-5-fluoro-6-methyl-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole
CID 106216892
1-benzyl-2-propan-2-ylbenzimidazol-5-amine
CID 43830828
1-[2-(dimethylamino)-2-methylpropyl]-2-propan-2-ylbenzimidazol-5-amine
CID 62494966
1-(2,2-dimethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine
CID 79870182
1-pentan-3-yl-2-propan-2-ylbenzimidazol-5-amine
CID 55080352
2-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)benzimidazol-5-amine
CID 62993400
1-(4-fluoro-3-methylphenyl)-2-propan-2-ylbenzimidazol-5-amine
CID 62812258
5,6-dimethoxy-1-[1-(trifluoromethyl)cyclopropyl]benzimidazol-2-amine
CID 106216828
1-[2-[cyclopropyl(methyl)amino]ethyl]-2-propan-2-ylbenzimidazol-5-amine
CID 62980500
1-[2-[methyl(propan-2-yl)amino]ethyl]-2-propan-2-ylbenzimidazol-5-amine
CID 62640082

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]benzimidazol-5-amine?
The IUPAC name of 2-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]benzimidazol-5-amine (CID 106216601) is 2-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]benzimidazol-5-amine.
What is the SMILES notation for 2-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]benzimidazol-5-amine?
The canonical SMILES for 2-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]benzimidazol-5-amine is CC(C)c1nc2cc(N)ccc2n1C1(C(F)(F)F)CC1.
What is the InChIKey of 2-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]benzimidazol-5-amine?
The InChIKey is VDZLXDLNKXDFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3/c1-8(2)12-19-10-7-9(18)3-4-11(10)20(12)13(5-6-13)14(15,16)17/h3-4,7-8H,5-6,18H2,1-2H3.
What are the key properties of 2-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]benzimidazol-5-amine?
2-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]benzimidazol-5-amine has a molecular weight of 283.30 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]benzimidazol-5-amine is sourced from PubChem (CID 106216601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).