3,3-dimethyl-1-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]piperidin-4-amine

C17H23F3N4 — CID 120782241

IUPAC3,3-dimethyl-1-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]piperidin-4-amine
SMILESCn1c(CN2CCC(N)C(C)(C)C2)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C17H23F3N4/c1-16(2)10-24(7-6-14(16)21)9-15-22-12-8-11(17(18,19)20)4-5-13(12)23(15)3/h4-5,8,14H,6-7,9-10,21H2,1-3H3
InChIKeyBCMMEPQZYPUILB-UHFFFAOYSA-N
MW340.39 g/mol
LogP3.15
Rot. Bonds2

About 3,3-dimethyl-1-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]piperidin-4-amine

3,3-dimethyl-1-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]piperidin-4-amine (PubChem CID 120782241) has the molecular formula C17H23F3N4 and a molecular weight of 340.39 g/mol. Its IUPAC name is 3,3-dimethyl-1-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]piperidin-4-amine
PubChem CID120782241
Molecular FormulaC17H23F3N4
Molecular Weight340.39 g/mol
Exact Mass340.19
IUPAC Name3,3-dimethyl-1-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]piperidin-4-amine
SMILESCn1c(CN2CCC(N)C(C)(C)C2)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C17H23F3N4/c1-16(2)10-24(7-6-14(16)21)9-15-22-12-8-11(17(18,19)20)4-5-13(12)23(15)3/h4-5,8,14H,6-7,9-10,21H2,1-3H3
InChIKeyBCMMEPQZYPUILB-UHFFFAOYSA-N
XLogP3.15
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,3-dimethyl-1-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782258
3,3-dimethyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-amine
CID 120776522
2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 46310390
N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]cyclopropanamine
CID 80711654
N-[2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethyl]cyclopropanamine
CID 81455530
3,3-dimethyl-1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine
CID 120774537
(1S,5S,6R)-N,7,7-trimethyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 99627431
2-[(dimethylsulfamoylamino)methyl]-1-methyl-5-(trifluoromethyl)benzimidazole
CID 131948620
3,3-dimethyl-1-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]piperidin-4-amine;hydrochloride
CID 120847184
[1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780786
N-methyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]aniline
CID 75398519
3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 120774509

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]piperidin-4-amine?
The IUPAC name of 3,3-dimethyl-1-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]piperidin-4-amine (CID 120782241) is 3,3-dimethyl-1-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 3,3-dimethyl-1-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]piperidin-4-amine?
The canonical SMILES for 3,3-dimethyl-1-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]piperidin-4-amine is Cn1c(CN2CCC(N)C(C)(C)C2)nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 3,3-dimethyl-1-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]piperidin-4-amine?
The InChIKey is BCMMEPQZYPUILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N4/c1-16(2)10-24(7-6-14(16)21)9-15-22-12-8-11(17(18,19)20)4-5-13(12)23(15)3/h4-5,8,14H,6-7,9-10,21H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]piperidin-4-amine?
3,3-dimethyl-1-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]piperidin-4-amine has a molecular weight of 340.39 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 120782241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).