(1-methylimidazol-2-yl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone

C14H16F3N5O — CID 71989236

IUPAC(1-methylimidazol-2-yl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
SMILESCn1ccnc1C(=O)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1
InChIInChI=1S/C14H16F3N5O/c1-21-7-4-18-12(21)13(23)22-5-2-9(3-6-22)11-19-8-10(20-11)14(15,16)17/h4,7-9H,2-3,5-6H2,1H3,(H,19,20)
InChIKeyAYENJHIPVLJYFS-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.18
Rot. Bonds2

About (1-methylimidazol-2-yl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone

(1-methylimidazol-2-yl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 71989236) has the molecular formula C14H16F3N5O and a molecular weight of 327.31 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID71989236
Molecular FormulaC14H16F3N5O
Molecular Weight327.31 g/mol
Exact Mass327.13
IUPAC Name(1-methylimidazol-2-yl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
SMILESCn1ccnc1C(=O)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1
InChIInChI=1S/C14H16F3N5O/c1-21-7-4-18-12(21)13(23)22-5-2-9(3-6-22)11-19-8-10(20-11)14(15,16)17/h4,7-9H,2-3,5-6H2,1H3,(H,19,20)
InChIKeyAYENJHIPVLJYFS-UHFFFAOYSA-N
XLogP2.18
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1-methylimidazol-2-yl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone 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

1H-imidazol-5-yl-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 53612757
[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 72043991
1H-imidazol-5-yl-[3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 72141976
N-[2-(2-cyclobutyl-5-methylimidazol-1-yl)ethyl]-1-methylimidazole-2-carboxamide
CID 132337152
2-(diethylamino)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone
CID 71990140
(3S*,4R*)-4-isopropyl-N,N-dimethyl-1-[(4-methyl-1H-imidazol-2-yl)carbonyl]pyrrolidin-3-amine
CID 72931422
N-[(1-ethylpiperidin-4-yl)methyl]-4-methyl-1H-imidazole-2-carboxamide
CID 77086075
4-methyl-N-[(1-propyl-1H-imidazol-2-yl)methyl]-1H-imidazole-2-carboxamide
CID 91781681
N-[cyclopropyl(1-methyl-1H-imidazol-2-yl)methyl]-4-methyl-1H-imidazole-2-carboxamide
CID 91794163
4-methyl-N-[2-methyl-1-(1-methyl-1H-imidazol-2-yl)propyl]-1H-imidazole-2-carboxamide
CID 91830682
1-[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 129346399
(2S)-1-[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-2-[methyl(2,2,2-trifluoroethyl)amino]propan-1-one
CID 164637047

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (1-methylimidazol-2-yl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone (CID 71989236) is (1-methylimidazol-2-yl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylimidazol-2-yl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (1-methylimidazol-2-yl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone is Cn1ccnc1C(=O)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1.
What is the InChIKey of (1-methylimidazol-2-yl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is AYENJHIPVLJYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O/c1-21-7-4-18-12(21)13(23)22-5-2-9(3-6-22)11-19-8-10(20-11)14(15,16)17/h4,7-9H,2-3,5-6H2,1H3,(H,19,20).
What are the key properties of (1-methylimidazol-2-yl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
(1-methylimidazol-2-yl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 327.31 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 71989236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).