6-chloro-2-[2-(trifluoromethyl)cyclohexyl]-1H-benzimidazol-4-amine

C14H15ClF3N3 — CID 104622206

IUPAC6-chloro-2-[2-(trifluoromethyl)cyclohexyl]-1H-benzimidazol-4-amine
SMILESNc1cc(Cl)cc2[nH]c(C3CCCCC3C(F)(F)F)nc12
InChIInChI=1S/C14H15ClF3N3/c15-7-5-10(19)12-11(6-7)20-13(21-12)8-3-1-2-4-9(8)14(16,17)18/h5-6,8-9H,1-4,19H2,(H,20,21)
InChIKeyZVOVHVMZKFMVRA-UHFFFAOYSA-N
MW317.74 g/mol
LogP4.63
Rot. Bonds1

About 6-chloro-2-[2-(trifluoromethyl)cyclohexyl]-1H-benzimidazol-4-amine

6-chloro-2-[2-(trifluoromethyl)cyclohexyl]-1H-benzimidazol-4-amine (PubChem CID 104622206) has the molecular formula C14H15ClF3N3 and a molecular weight of 317.74 g/mol. Its IUPAC name is 6-chloro-2-[2-(trifluoromethyl)cyclohexyl]-1H-benzimidazol-4-amine.

Molecular Properties

Compound Name6-chloro-2-[2-(trifluoromethyl)cyclohexyl]-1H-benzimidazol-4-amine
PubChem CID104622206
Molecular FormulaC14H15ClF3N3
Molecular Weight317.74 g/mol
Exact Mass317.09
IUPAC Name6-chloro-2-[2-(trifluoromethyl)cyclohexyl]-1H-benzimidazol-4-amine
SMILESNc1cc(Cl)cc2[nH]c(C3CCCCC3C(F)(F)F)nc12
InChIInChI=1S/C14H15ClF3N3/c15-7-5-10(19)12-11(6-7)20-13(21-12)8-3-1-2-4-9(8)14(16,17)18/h5-6,8-9H,1-4,19H2,(H,20,21)
InChIKeyZVOVHVMZKFMVRA-UHFFFAOYSA-N
XLogP4.63
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.74
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,6-difluoro-2-[2-(trifluoromethyl)cyclohexyl]-1H-benzimidazole
CID 104622397
4-chloro-6-[2-(trifluoromethyl)cyclohexyl]-1,3,5-triazin-2-amine
CID 113434047
2-[2-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine
CID 104622377
5-methoxy-2-[2-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine
CID 104622389
(1R)-2-[6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-yl]cyclohexan-1-amine
CID 90261891
2-cyclopropyl-6-methyl-1H-benzimidazol-4-amine
CID 83697347
(4-amino-6-chloro-1H-benzimidazol-2-yl)methanol
CID 115647651
5,6-dimethyl-2-[2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 104623005
(1R)-2-[4-(fluoromethyl)-6-(trifluoromethyl)-1H-benzimidazol-2-yl]cyclohexan-1-amine
CID 90264186
3-cyclopentyl-5-[2-(trifluoromethyl)cyclohexyl]-1H-1,2,4-triazole
CID 104622352
6-chloro-2-cyclohexyl-1H-imidazo[4,5-b]pyridine
CID 82142257
[6-chloro-2-(oxan-2-yl)-1H-benzimidazol-4-yl]methanamine
CID 123795026

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[2-(trifluoromethyl)cyclohexyl]-1H-benzimidazol-4-amine?
The IUPAC name of 6-chloro-2-[2-(trifluoromethyl)cyclohexyl]-1H-benzimidazol-4-amine (CID 104622206) is 6-chloro-2-[2-(trifluoromethyl)cyclohexyl]-1H-benzimidazol-4-amine.
What is the SMILES notation for 6-chloro-2-[2-(trifluoromethyl)cyclohexyl]-1H-benzimidazol-4-amine?
The canonical SMILES for 6-chloro-2-[2-(trifluoromethyl)cyclohexyl]-1H-benzimidazol-4-amine is Nc1cc(Cl)cc2[nH]c(C3CCCCC3C(F)(F)F)nc12.
What is the InChIKey of 6-chloro-2-[2-(trifluoromethyl)cyclohexyl]-1H-benzimidazol-4-amine?
The InChIKey is ZVOVHVMZKFMVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF3N3/c15-7-5-10(19)12-11(6-7)20-13(21-12)8-3-1-2-4-9(8)14(16,17)18/h5-6,8-9H,1-4,19H2,(H,20,21).
What are the key properties of 6-chloro-2-[2-(trifluoromethyl)cyclohexyl]-1H-benzimidazol-4-amine?
6-chloro-2-[2-(trifluoromethyl)cyclohexyl]-1H-benzimidazol-4-amine has a molecular weight of 317.74 g/mol, XLogP of 4.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[2-(trifluoromethyl)cyclohexyl]-1H-benzimidazol-4-amine is sourced from PubChem (CID 104622206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).