3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]cyclohexan-1-amine

C15H18F3N3 — CID 81455528

IUPAC3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]cyclohexan-1-amine
SMILESCn1c(C2CCCC(N)C2)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C15H18F3N3/c1-21-13-6-5-10(15(16,17)18)8-12(13)20-14(21)9-3-2-4-11(19)7-9/h5-6,8-9,11H,2-4,7,19H2,1H3
InChIKeySWOOIYWXTFAUHD-UHFFFAOYSA-N
MW297.32 g/mol
LogP3.58
Rot. Bonds1

About 3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]cyclohexan-1-amine

3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]cyclohexan-1-amine (PubChem CID 81455528) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is 3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]cyclohexan-1-amine
PubChem CID81455528
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC Name3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]cyclohexan-1-amine
SMILESCn1c(C2CCCC(N)C2)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C15H18F3N3/c1-21-13-6-5-10(15(16,17)18)8-12(13)20-14(21)9-3-2-4-11(19)7-9/h5-6,8-9,11H,2-4,7,19H2,1H3
InChIKeySWOOIYWXTFAUHD-UHFFFAOYSA-N
XLogP3.58
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]cyclohexan-1-amine?
The IUPAC name of 3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]cyclohexan-1-amine (CID 81455528) is 3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]cyclohexan-1-amine.
What is the SMILES notation for 3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]cyclohexan-1-amine?
The canonical SMILES for 3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]cyclohexan-1-amine is Cn1c(C2CCCC(N)C2)nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]cyclohexan-1-amine?
The InChIKey is SWOOIYWXTFAUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c1-21-13-6-5-10(15(16,17)18)8-12(13)20-14(21)9-3-2-4-11(19)7-9/h5-6,8-9,11H,2-4,7,19H2,1H3.
What are the key properties of 3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]cyclohexan-1-amine?
3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]cyclohexan-1-amine has a molecular weight of 297.32 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 81455528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).