(1R)-2-[4-(fluoromethyl)-6-(trifluoromethyl)-1H-benzimidazol-2-yl]cyclohexan-1-amine

C15H17F4N3 — CID 90264186

IUPAC(1R)-2-[4-(fluoromethyl)-6-(trifluoromethyl)-1H-benzimidazol-2-yl]cyclohexan-1-amine
SMILESN[C@@H]1CCCCC1c1nc2c(CF)cc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C15H17F4N3/c16-7-8-5-9(15(17,18)19)6-12-13(8)22-14(21-12)10-3-1-2-4-11(10)20/h5-6,10-11H,1-4,7,20H2,(H,21,22)/t10?,11-/m1/s1
InChIKeyXKBDGLFDWWAUJS-RRKGBCIJSA-N
MW315.31 g/mol
LogP4.04
Rot. Bonds2

About (1R)-2-[4-(fluoromethyl)-6-(trifluoromethyl)-1H-benzimidazol-2-yl]cyclohexan-1-amine

(1R)-2-[4-(fluoromethyl)-6-(trifluoromethyl)-1H-benzimidazol-2-yl]cyclohexan-1-amine (PubChem CID 90264186) has the molecular formula C15H17F4N3 and a molecular weight of 315.31 g/mol. Its IUPAC name is (1R)-2-[4-(fluoromethyl)-6-(trifluoromethyl)-1H-benzimidazol-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name(1R)-2-[4-(fluoromethyl)-6-(trifluoromethyl)-1H-benzimidazol-2-yl]cyclohexan-1-amine
PubChem CID90264186
Molecular FormulaC15H17F4N3
Molecular Weight315.31 g/mol
Exact Mass315.14
IUPAC Name(1R)-2-[4-(fluoromethyl)-6-(trifluoromethyl)-1H-benzimidazol-2-yl]cyclohexan-1-amine
SMILESN[C@@H]1CCCCC1c1nc2c(CF)cc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C15H17F4N3/c16-7-8-5-9(15(17,18)19)6-12-13(8)22-14(21-12)10-3-1-2-4-11(10)20/h5-6,10-11H,1-4,7,20H2,(H,21,22)/t10?,11-/m1/s1
InChIKeyXKBDGLFDWWAUJS-RRKGBCIJSA-N
XLogP4.04
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.31
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-[4-(fluoromethyl)-6-(trifluoromethyl)-1H-benzimidazol-2-yl]cyclohexan-1-amine?
The IUPAC name of (1R)-2-[4-(fluoromethyl)-6-(trifluoromethyl)-1H-benzimidazol-2-yl]cyclohexan-1-amine (CID 90264186) is (1R)-2-[4-(fluoromethyl)-6-(trifluoromethyl)-1H-benzimidazol-2-yl]cyclohexan-1-amine.
What is the SMILES notation for (1R)-2-[4-(fluoromethyl)-6-(trifluoromethyl)-1H-benzimidazol-2-yl]cyclohexan-1-amine?
The canonical SMILES for (1R)-2-[4-(fluoromethyl)-6-(trifluoromethyl)-1H-benzimidazol-2-yl]cyclohexan-1-amine is N[C@@H]1CCCCC1c1nc2c(CF)cc(C(F)(F)F)cc2[nH]1.
What is the InChIKey of (1R)-2-[4-(fluoromethyl)-6-(trifluoromethyl)-1H-benzimidazol-2-yl]cyclohexan-1-amine?
The InChIKey is XKBDGLFDWWAUJS-RRKGBCIJSA-N. The full InChI is InChI=1S/C15H17F4N3/c16-7-8-5-9(15(17,18)19)6-12-13(8)22-14(21-12)10-3-1-2-4-11(10)20/h5-6,10-11H,1-4,7,20H2,(H,21,22)/t10?,11-/m1/s1.
What are the key properties of (1R)-2-[4-(fluoromethyl)-6-(trifluoromethyl)-1H-benzimidazol-2-yl]cyclohexan-1-amine?
(1R)-2-[4-(fluoromethyl)-6-(trifluoromethyl)-1H-benzimidazol-2-yl]cyclohexan-1-amine has a molecular weight of 315.31 g/mol, XLogP of 4.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[4-(fluoromethyl)-6-(trifluoromethyl)-1H-benzimidazol-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 90264186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).