1-(1-methylpiperidin-3-yl)-2-(trifluoromethyl)benzimidazol-5-amine

C14H17F3N4 — CID 62506569

IUPAC1-(1-methylpiperidin-3-yl)-2-(trifluoromethyl)benzimidazol-5-amine
SMILESCN1CCCC(n2c(C(F)(F)F)nc3cc(N)ccc32)C1
InChIInChI=1S/C14H17F3N4/c1-20-6-2-3-10(8-20)21-12-5-4-9(18)7-11(12)19-13(21)14(15,16)17/h4-5,7,10H,2-3,6,8,18H2,1H3
InChIKeyUBIPUNAXRDIJJD-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.90
Rot. Bonds1

About 1-(1-methylpiperidin-3-yl)-2-(trifluoromethyl)benzimidazol-5-amine

1-(1-methylpiperidin-3-yl)-2-(trifluoromethyl)benzimidazol-5-amine (PubChem CID 62506569) has the molecular formula C14H17F3N4 and a molecular weight of 298.31 g/mol. Its IUPAC name is 1-(1-methylpiperidin-3-yl)-2-(trifluoromethyl)benzimidazol-5-amine.

Molecular Properties

Compound Name1-(1-methylpiperidin-3-yl)-2-(trifluoromethyl)benzimidazol-5-amine
PubChem CID62506569
Molecular FormulaC14H17F3N4
Molecular Weight298.31 g/mol
Exact Mass298.14
IUPAC Name1-(1-methylpiperidin-3-yl)-2-(trifluoromethyl)benzimidazol-5-amine
SMILESCN1CCCC(n2c(C(F)(F)F)nc3cc(N)ccc32)C1
InChIInChI=1S/C14H17F3N4/c1-20-6-2-3-10(8-20)21-12-5-4-9(18)7-11(12)19-13(21)14(15,16)17/h4-5,7,10H,2-3,6,8,18H2,1H3
InChIKeyUBIPUNAXRDIJJD-UHFFFAOYSA-N
XLogP2.90
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1-methylpiperidin-4-yl)-2-(trifluoromethyl)benzimidazol-5-amine
CID 62507699
1-[5-amino-1-(1-methylpiperidin-3-yl)benzimidazol-2-yl]ethanol
CID 62594160
1-(1-methylpiperidin-3-yl)-2-propylbenzimidazol-5-amine
CID 62506407
1-(3,3-dimethylcyclopentyl)-2-(trifluoromethyl)benzimidazol-5-amine
CID 114541155
6-fluoro-5-iodo-1-(1-methylpiperidin-3-yl)benzimidazol-2-amine
CID 66101576
1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)benzimidazol-5-amine
CID 80720002
1-cyclopentyl-2-(2,2-dimethylpropyl)benzimidazol-5-amine
CID 96668227
1-(1-ethylpiperidin-3-yl)-2-propan-2-ylbenzimidazol-5-amine
CID 62507406
1-cyclohexylbenzimidazole-2,5-diamine
CID 84793894
4-[5-amino-2-(trifluoromethyl)benzimidazol-1-yl]butan-2-ol
CID 64912559
2-tert-butyl-1-(thiolan-3-yl)benzimidazol-5-amine
CID 103064824
1-pentyl-2-(trifluoromethyl)benzimidazol-5-amine
CID 55079980

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-3-yl)-2-(trifluoromethyl)benzimidazol-5-amine?
The IUPAC name of 1-(1-methylpiperidin-3-yl)-2-(trifluoromethyl)benzimidazol-5-amine (CID 62506569) is 1-(1-methylpiperidin-3-yl)-2-(trifluoromethyl)benzimidazol-5-amine.
What is the SMILES notation for 1-(1-methylpiperidin-3-yl)-2-(trifluoromethyl)benzimidazol-5-amine?
The canonical SMILES for 1-(1-methylpiperidin-3-yl)-2-(trifluoromethyl)benzimidazol-5-amine is CN1CCCC(n2c(C(F)(F)F)nc3cc(N)ccc32)C1.
What is the InChIKey of 1-(1-methylpiperidin-3-yl)-2-(trifluoromethyl)benzimidazol-5-amine?
The InChIKey is UBIPUNAXRDIJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4/c1-20-6-2-3-10(8-20)21-12-5-4-9(18)7-11(12)19-13(21)14(15,16)17/h4-5,7,10H,2-3,6,8,18H2,1H3.
What are the key properties of 1-(1-methylpiperidin-3-yl)-2-(trifluoromethyl)benzimidazol-5-amine?
1-(1-methylpiperidin-3-yl)-2-(trifluoromethyl)benzimidazol-5-amine has a molecular weight of 298.31 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-3-yl)-2-(trifluoromethyl)benzimidazol-5-amine is sourced from PubChem (CID 62506569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).