N-[1-(4-hydroxybutan-2-yl)-2-(trifluoromethyl)benzimidazol-5-yl]-1-methyl-3-(1-methylpyrazol-4-yl)piperidine-4-carboxamide

C23H29F3N6O2 — CID 166242510

IUPACN-[1-(4-hydroxybutan-2-yl)-2-(trifluoromethyl)benzimidazol-5-yl]-1-methyl-3-(1-methylpyrazol-4-yl)piperidine-4-carboxamide
SMILESCC(CCO)n1c(C(F)(F)F)nc2cc(NC(=O)C3CCN(C)CC3c3cnn(C)c3)ccc21
InChIInChI=1S/C23H29F3N6O2/c1-14(7-9-33)32-20-5-4-16(10-19(20)29-22(32)23(24,25)26)28-21(34)17-6-8-30(2)13-18(17)15-11-27-31(3)12-15/h4-5,10-12,14,17-18,33H,6-9,13H2,1-3H3,(H,28,34)
InChIKeyLXBPBDFGUZCRMK-UHFFFAOYSA-N
MW478.52 g/mol
LogP3.41
Rot. Bonds6

About N-[1-(4-hydroxybutan-2-yl)-2-(trifluoromethyl)benzimidazol-5-yl]-1-methyl-3-(1-methylpyrazol-4-yl)piperidine-4-carboxamide

N-[1-(4-hydroxybutan-2-yl)-2-(trifluoromethyl)benzimidazol-5-yl]-1-methyl-3-(1-methylpyrazol-4-yl)piperidine-4-carboxamide (PubChem CID 166242510) has the molecular formula C23H29F3N6O2 and a molecular weight of 478.52 g/mol. Its IUPAC name is N-[1-(4-hydroxybutan-2-yl)-2-(trifluoromethyl)benzimidazol-5-yl]-1-methyl-3-(1-methylpyrazol-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-hydroxybutan-2-yl)-2-(trifluoromethyl)benzimidazol-5-yl]-1-methyl-3-(1-methylpyrazol-4-yl)piperidine-4-carboxamide
PubChem CID166242510
Molecular FormulaC23H29F3N6O2
Molecular Weight478.52 g/mol
Exact Mass478.23
IUPAC NameN-[1-(4-hydroxybutan-2-yl)-2-(trifluoromethyl)benzimidazol-5-yl]-1-methyl-3-(1-methylpyrazol-4-yl)piperidine-4-carboxamide
SMILESCC(CCO)n1c(C(F)(F)F)nc2cc(NC(=O)C3CCN(C)CC3c3cnn(C)c3)ccc21
InChIInChI=1S/C23H29F3N6O2/c1-14(7-9-33)32-20-5-4-16(10-19(20)29-22(32)23(24,25)26)28-21(34)17-6-8-30(2)13-18(17)15-11-27-31(3)12-15/h4-5,10-12,14,17-18,33H,6-9,13H2,1-3H3,(H,28,34)
InChIKeyLXBPBDFGUZCRMK-UHFFFAOYSA-N
XLogP3.41
TPSA88.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.52
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-(4-hydroxybutan-2-yl)-2-(trifluoromethyl)benzimidazol-5-yl]-1-methyl-3-(1-methylpyrazol-4-yl)piperidine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-hydroxybutan-2-yl)-2-(trifluoromethyl)benzimidazol-5-yl]-1-methyl-3-(1-methylpyrazol-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-[1-(4-hydroxybutan-2-yl)-2-(trifluoromethyl)benzimidazol-5-yl]-1-methyl-3-(1-methylpyrazol-4-yl)piperidine-4-carboxamide (CID 166242510) is N-[1-(4-hydroxybutan-2-yl)-2-(trifluoromethyl)benzimidazol-5-yl]-1-methyl-3-(1-methylpyrazol-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(4-hydroxybutan-2-yl)-2-(trifluoromethyl)benzimidazol-5-yl]-1-methyl-3-(1-methylpyrazol-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[1-(4-hydroxybutan-2-yl)-2-(trifluoromethyl)benzimidazol-5-yl]-1-methyl-3-(1-methylpyrazol-4-yl)piperidine-4-carboxamide is CC(CCO)n1c(C(F)(F)F)nc2cc(NC(=O)C3CCN(C)CC3c3cnn(C)c3)ccc21.
What is the InChIKey of N-[1-(4-hydroxybutan-2-yl)-2-(trifluoromethyl)benzimidazol-5-yl]-1-methyl-3-(1-methylpyrazol-4-yl)piperidine-4-carboxamide?
The InChIKey is LXBPBDFGUZCRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F3N6O2/c1-14(7-9-33)32-20-5-4-16(10-19(20)29-22(32)23(24,25)26)28-21(34)17-6-8-30(2)13-18(17)15-11-27-31(3)12-15/h4-5,10-12,14,17-18,33H,6-9,13H2,1-3H3,(H,28,34).
What are the key properties of N-[1-(4-hydroxybutan-2-yl)-2-(trifluoromethyl)benzimidazol-5-yl]-1-methyl-3-(1-methylpyrazol-4-yl)piperidine-4-carboxamide?
N-[1-(4-hydroxybutan-2-yl)-2-(trifluoromethyl)benzimidazol-5-yl]-1-methyl-3-(1-methylpyrazol-4-yl)piperidine-4-carboxamide has a molecular weight of 478.52 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-hydroxybutan-2-yl)-2-(trifluoromethyl)benzimidazol-5-yl]-1-methyl-3-(1-methylpyrazol-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 166242510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).