[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone

C18H18F3N5O — CID 70768974

IUPAC[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
SMILESCc1cccc2[nH]c(C3CCCN(C(=O)c4cc(C(F)(F)F)[nH]n4)C3)nc12
InChIInChI=1S/C18H18F3N5O/c1-10-4-2-6-12-15(10)23-16(22-12)11-5-3-7-26(9-11)17(27)13-8-14(25-24-13)18(19,20)21/h2,4,6,8,11H,3,5,7,9H2,1H3,(H,22,23)(H,24,25)
InChIKeyPYLKVCPJQMYMFI-UHFFFAOYSA-N
MW377.37 g/mol
LogP3.63
Rot. Bonds2

About [3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone

[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone (PubChem CID 70768974) has the molecular formula C18H18F3N5O and a molecular weight of 377.37 g/mol. Its IUPAC name is [3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
PubChem CID70768974
Molecular FormulaC18H18F3N5O
Molecular Weight377.37 g/mol
Exact Mass377.15
IUPAC Name[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
SMILESCc1cccc2[nH]c(C3CCCN(C(=O)c4cc(C(F)(F)F)[nH]n4)C3)nc12
InChIInChI=1S/C18H18F3N5O/c1-10-4-2-6-12-15(10)23-16(22-12)11-5-3-7-26(9-11)17(27)13-8-14(25-24-13)18(19,20)21/h2,4,6,8,11H,3,5,7,9H2,1H3,(H,22,23)(H,24,25)
InChIKeyPYLKVCPJQMYMFI-UHFFFAOYSA-N
XLogP3.63
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-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

[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 97149967
[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 72907250
1H-indol-2-yl-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 70713768
tert-butyl (3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 66787018
4,6-dimethyl-3-[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 95226071
(2,5-dimethylpyrazol-3-yl)-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 70773564
(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 70719611
(1-tert-butylpyrrol-3-yl)-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 72868287
[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 97118844
[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 96582134
[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 70737912
1-benzofuran-5-yl-[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 97131515

Frequently Asked Questions

What is the IUPAC name of [3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone?
The IUPAC name of [3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone (CID 70768974) is [3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone.
What is the SMILES notation for [3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone?
The canonical SMILES for [3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone is Cc1cccc2[nH]c(C3CCCN(C(=O)c4cc(C(F)(F)F)[nH]n4)C3)nc12.
What is the InChIKey of [3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone?
The InChIKey is PYLKVCPJQMYMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O/c1-10-4-2-6-12-15(10)23-16(22-12)11-5-3-7-26(9-11)17(27)13-8-14(25-24-13)18(19,20)21/h2,4,6,8,11H,3,5,7,9H2,1H3,(H,22,23)(H,24,25).
What are the key properties of [3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone?
[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone has a molecular weight of 377.37 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone is sourced from PubChem (CID 70768974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).