1-methyl-2-[2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydrobenzimidazol-5-amine

C15H22F3N3 — CID 104623010

IUPAC1-methyl-2-[2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydrobenzimidazol-5-amine
SMILESCn1c(C2CCCCC2C(F)(F)F)nc2c1CCC(N)C2
InChIInChI=1S/C15H22F3N3/c1-21-13-7-6-9(19)8-12(13)20-14(21)10-4-2-3-5-11(10)15(16,17)18/h9-11H,2-8,19H2,1H3
InChIKeyDIDMAWKRLRGWFO-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.07
Rot. Bonds1

About 1-methyl-2-[2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydrobenzimidazol-5-amine

1-methyl-2-[2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydrobenzimidazol-5-amine (PubChem CID 104623010) has the molecular formula C15H22F3N3 and a molecular weight of 301.36 g/mol. Its IUPAC name is 1-methyl-2-[2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydrobenzimidazol-5-amine.

Molecular Properties

Compound Name1-methyl-2-[2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydrobenzimidazol-5-amine
PubChem CID104623010
Molecular FormulaC15H22F3N3
Molecular Weight301.36 g/mol
Exact Mass301.18
IUPAC Name1-methyl-2-[2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydrobenzimidazol-5-amine
SMILESCn1c(C2CCCCC2C(F)(F)F)nc2c1CCC(N)C2
InChIInChI=1S/C15H22F3N3/c1-21-13-7-6-9(19)8-12(13)20-14(21)10-4-2-3-5-11(10)15(16,17)18/h9-11H,2-8,19H2,1H3
InChIKeyDIDMAWKRLRGWFO-UHFFFAOYSA-N
XLogP3.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydrobenzimidazol-5-amine?
The IUPAC name of 1-methyl-2-[2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydrobenzimidazol-5-amine (CID 104623010) is 1-methyl-2-[2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydrobenzimidazol-5-amine.
What is the SMILES notation for 1-methyl-2-[2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydrobenzimidazol-5-amine?
The canonical SMILES for 1-methyl-2-[2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydrobenzimidazol-5-amine is Cn1c(C2CCCCC2C(F)(F)F)nc2c1CCC(N)C2.
What is the InChIKey of 1-methyl-2-[2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydrobenzimidazol-5-amine?
The InChIKey is DIDMAWKRLRGWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3/c1-21-13-7-6-9(19)8-12(13)20-14(21)10-4-2-3-5-11(10)15(16,17)18/h9-11H,2-8,19H2,1H3.
What are the key properties of 1-methyl-2-[2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydrobenzimidazol-5-amine?
1-methyl-2-[2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydrobenzimidazol-5-amine has a molecular weight of 301.36 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydrobenzimidazol-5-amine is sourced from PubChem (CID 104623010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).