2-[2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine

C14H20F3N3 — CID 104623009

IUPAC2-[2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine
SMILESNC1CCc2nc(C3CCCCC3C(F)(F)F)[nH]c2C1
InChIInChI=1S/C14H20F3N3/c15-14(16,17)10-4-2-1-3-9(10)13-19-11-6-5-8(18)7-12(11)20-13/h8-10H,1-7,18H2,(H,19,20)
InChIKeyJRVBGWFWVVFELX-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.06
Rot. Bonds1

About 2-[2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine

2-[2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine (PubChem CID 104623009) has the molecular formula C14H20F3N3 and a molecular weight of 287.33 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine
PubChem CID104623009
Molecular FormulaC14H20F3N3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC Name2-[2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine
SMILESNC1CCc2nc(C3CCCCC3C(F)(F)F)[nH]c2C1
InChIInChI=1S/C14H20F3N3/c15-14(16,17)10-4-2-1-3-9(10)13-19-11-6-5-8(18)7-12(11)20-13/h8-10H,1-7,18H2,(H,19,20)
InChIKeyJRVBGWFWVVFELX-UHFFFAOYSA-N
XLogP3.06
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine?
The IUPAC name of 2-[2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine (CID 104623009) is 2-[2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-[2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine?
The canonical SMILES for 2-[2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine is NC1CCc2nc(C3CCCCC3C(F)(F)F)[nH]c2C1.
What is the InChIKey of 2-[2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine?
The InChIKey is JRVBGWFWVVFELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3/c15-14(16,17)10-4-2-1-3-9(10)13-19-11-6-5-8(18)7-12(11)20-13/h8-10H,1-7,18H2,(H,19,20).
What are the key properties of 2-[2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine?
2-[2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine has a molecular weight of 287.33 g/mol, XLogP of 3.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine is sourced from PubChem (CID 104623009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).