N-[1-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperidin-4-yl]-2-methylpropanamide

C19H26F2N4O — CID 55739430

IUPACN-[1-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperidin-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCN(C(C)c2nc3ccccc3n2C(F)F)CC1
InChIInChI=1S/C19H26F2N4O/c1-12(2)18(26)22-14-8-10-24(11-9-14)13(3)17-23-15-6-4-5-7-16(15)25(17)19(20)21/h4-7,12-14,19H,8-11H2,1-3H3,(H,22,26)
InChIKeyCLXWBHZRWRLEIH-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.73
Rot. Bonds5

About N-[1-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperidin-4-yl]-2-methylpropanamide

N-[1-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperidin-4-yl]-2-methylpropanamide (PubChem CID 55739430) has the molecular formula C19H26F2N4O and a molecular weight of 364.44 g/mol. Its IUPAC name is N-[1-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperidin-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperidin-4-yl]-2-methylpropanamide
PubChem CID55739430
Molecular FormulaC19H26F2N4O
Molecular Weight364.44 g/mol
Exact Mass364.21
IUPAC NameN-[1-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperidin-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCN(C(C)c2nc3ccccc3n2C(F)F)CC1
InChIInChI=1S/C19H26F2N4O/c1-12(2)18(26)22-14-8-10-24(11-9-14)13(3)17-23-15-6-4-5-7-16(15)25(17)19(20)21/h4-7,12-14,19H,8-11H2,1-3H3,(H,22,26)
InChIKeyCLXWBHZRWRLEIH-UHFFFAOYSA-N
XLogP3.73
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[4-(azetidin-1-yl)piperidin-1-yl]ethyl]-1-(difluoromethyl)benzimidazole
CID 154766136
1-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3,3-dimethylpiperidin-4-amine
CID 120775778
ethyl 4-[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperazine-1-carboxylate
CID 25330445
1-adamantyl-[4-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperazin-1-yl]methanone
CID 55499484
2-[4-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperazin-1-yl]phenol
CID 46555831
3-[1-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperidin-3-yl]propanoic acid
CID 122101015
1-(difluoromethyl)-2-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzimidazole
CID 17428540
N-[[(3S)-1-[(1R)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]pyrrolidin-3-yl]methyl]-N-methylethanamine
CID 98872965
N-[[(3R)-1-[(1R)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]pyrrolidin-3-yl]methyl]-N-methylethanamine
CID 98872967
(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethanol
CID 7042738
1-(difluoromethyl)-2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzimidazole
CID 42926494
1-(difluoromethyl)-2-[1-(2,3-dihydroindol-1-yl)ethyl]benzimidazole
CID 112810866

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperidin-4-yl]-2-methylpropanamide?
The IUPAC name of N-[1-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperidin-4-yl]-2-methylpropanamide (CID 55739430) is N-[1-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperidin-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperidin-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperidin-4-yl]-2-methylpropanamide is CC(C)C(=O)NC1CCN(C(C)c2nc3ccccc3n2C(F)F)CC1.
What is the InChIKey of N-[1-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperidin-4-yl]-2-methylpropanamide?
The InChIKey is CLXWBHZRWRLEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2N4O/c1-12(2)18(26)22-14-8-10-24(11-9-14)13(3)17-23-15-6-4-5-7-16(15)25(17)19(20)21/h4-7,12-14,19H,8-11H2,1-3H3,(H,22,26).
What are the key properties of N-[1-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperidin-4-yl]-2-methylpropanamide?
N-[1-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperidin-4-yl]-2-methylpropanamide has a molecular weight of 364.44 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperidin-4-yl]-2-methylpropanamide is sourced from PubChem (CID 55739430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).