N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide

C21H19F3N4O2 — CID 108554556

IUPACN-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C21H19F3N4O2/c22-21(23,24)15-4-1-13(2-5-15)20(30)28-9-7-16(8-10-28)27-19(29)14-3-6-17-18(11-14)26-12-25-17/h1-6,11-12,16H,7-10H2,(H,25,26)(H,27,29)
InChIKeyQFOVRLOZRKYCLP-UHFFFAOYSA-N
MW416.40 g/mol
LogP3.62
Rot. Bonds3

About N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide

N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide (PubChem CID 108554556) has the molecular formula C21H19F3N4O2 and a molecular weight of 416.40 g/mol. Its IUPAC name is N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide
PubChem CID108554556
Molecular FormulaC21H19F3N4O2
Molecular Weight416.40 g/mol
Exact Mass416.15
IUPAC NameN-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C21H19F3N4O2/c22-21(23,24)15-4-1-13(2-5-15)20(30)28-9-7-16(8-10-28)27-19(29)14-3-6-17-18(11-14)26-12-25-17/h1-6,11-12,16H,7-10H2,(H,25,26)(H,27,29)
InChIKeyQFOVRLOZRKYCLP-UHFFFAOYSA-N
XLogP3.62
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.40
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide 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

N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554460
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554461
N-[1-(3-methylbenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554529
[4-(3H-benzimidazole-5-carbonyl)-1,4-diazepan-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 108547387
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-chlorobenzamide
CID 108550833
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 108557671
N-cycloheptyl-3H-benzimidazole-5-carboxamide
CID 27646859
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110821508
N-[1-(4-methylbenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 108558531
N-[1-(propylcarbamoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 110821957
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 110821514
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 108558603

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide (CID 108554556) is N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide is O=C(NC1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide?
The InChIKey is QFOVRLOZRKYCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O2/c22-21(23,24)15-4-1-13(2-5-15)20(30)28-9-7-16(8-10-28)27-19(29)14-3-6-17-18(11-14)26-12-25-17/h1-6,11-12,16H,7-10H2,(H,25,26)(H,27,29).
What are the key properties of N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide?
N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide has a molecular weight of 416.40 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 108554556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).