N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide

C24H25F3N4O2 — CID 55498979

IUPACN-[(1-ethylbenzimidazol-2-yl)methyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
SMILESCCn1c(CNC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)nc2ccccc21
InChIInChI=1S/C24H25F3N4O2/c1-2-31-20-6-4-3-5-19(20)29-21(31)15-28-22(32)16-11-13-30(14-12-16)23(33)17-7-9-18(10-8-17)24(25,26)27/h3-10,16H,2,11-15H2,1H3,(H,28,32)
InChIKeyBWMJWMHTNIQHEN-UHFFFAOYSA-N
MW458.48 g/mol
LogP4.24
Rot. Bonds5

About N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide

N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide (PubChem CID 55498979) has the molecular formula C24H25F3N4O2 and a molecular weight of 458.48 g/mol. Its IUPAC name is N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylbenzimidazol-2-yl)methyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
PubChem CID55498979
Molecular FormulaC24H25F3N4O2
Molecular Weight458.48 g/mol
Exact Mass458.19
IUPAC NameN-[(1-ethylbenzimidazol-2-yl)methyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
SMILESCCn1c(CNC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)nc2ccccc21
InChIInChI=1S/C24H25F3N4O2/c1-2-31-20-6-4-3-5-19(20)29-21(31)15-28-22(32)16-11-13-30(14-12-16)23(33)17-7-9-18(10-8-17)24(25,26)27/h3-10,16H,2,11-15H2,1H3,(H,28,32)
InChIKeyBWMJWMHTNIQHEN-UHFFFAOYSA-N
XLogP4.24
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 16969775
N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 51309590
N-[(2-methylphenyl)methyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 26114390
N-[2-(diethylamino)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55486323
N-(3-phenylprop-2-ynyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55510350
N-[2-(dimethylamino)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 86915487
1-[(1-ethylbenzimidazol-2-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 124830464
N-propan-2-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 17440941
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 51305225
N-[2-(tert-butylamino)-2-oxoethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 25471747
N-[(1-dodecylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 16969793
N-[3-oxo-3-(propylamino)propyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55976217

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide (CID 55498979) is N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide is CCn1c(CNC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)nc2ccccc21.
What is the InChIKey of N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The InChIKey is BWMJWMHTNIQHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O2/c1-2-31-20-6-4-3-5-19(20)29-21(31)15-28-22(32)16-11-13-30(14-12-16)23(33)17-7-9-18(10-8-17)24(25,26)27/h3-10,16H,2,11-15H2,1H3,(H,28,32).
What are the key properties of N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide has a molecular weight of 458.48 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 55498979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).