N-(4,4-difluorocyclohexyl)-4-(imidazol-1-ylmethyl)benzamide

C17H19F2N3O — CID 119104686

IUPACN-(4,4-difluorocyclohexyl)-4-(imidazol-1-ylmethyl)benzamide
SMILESO=C(NC1CCC(F)(F)CC1)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C17H19F2N3O/c18-17(19)7-5-15(6-8-17)21-16(23)14-3-1-13(2-4-14)11-22-10-9-20-12-22/h1-4,9-10,12,15H,5-8,11H2,(H,21,23)
InChIKeyMKRNCZDPKUXHSS-UHFFFAOYSA-N
MW319.35 g/mol
LogP3.24
Rot. Bonds4

About N-(4,4-difluorocyclohexyl)-4-(imidazol-1-ylmethyl)benzamide

N-(4,4-difluorocyclohexyl)-4-(imidazol-1-ylmethyl)benzamide (PubChem CID 119104686) has the molecular formula C17H19F2N3O and a molecular weight of 319.35 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-4-(imidazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-4-(imidazol-1-ylmethyl)benzamide
PubChem CID119104686
Molecular FormulaC17H19F2N3O
Molecular Weight319.35 g/mol
Exact Mass319.15
IUPAC NameN-(4,4-difluorocyclohexyl)-4-(imidazol-1-ylmethyl)benzamide
SMILESO=C(NC1CCC(F)(F)CC1)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C17H19F2N3O/c18-17(19)7-5-15(6-8-17)21-16(23)14-3-1-13(2-4-14)11-22-10-9-20-12-22/h1-4,9-10,12,15H,5-8,11H2,(H,21,23)
InChIKeyMKRNCZDPKUXHSS-UHFFFAOYSA-N
XLogP3.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-4-(imidazol-1-ylmethyl)benzamide
CID 43918576
N-[1-(hydroxymethyl)cyclopentyl]-4-(imidazol-1-ylmethyl)benzamide
CID 110008830
4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide
CID 43918416
N-[2-(aminomethyl)cyclohexyl]-4-(imidazol-1-ylmethyl)benzamide;dihydrochloride
CID 119612316
N-(3,4-dihydro-2H-chromen-4-yl)-4-(imidazol-1-ylmethyl)benzamide
CID 47036571
N-tert-butyl-4-(imidazol-1-ylmethyl)benzamide
CID 43918479
N-(2-cyclohexylsulfanylethyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43922951
N-[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-4-(imidazol-1-ylmethyl)benzamide
CID 51896556
N-[(2R)-butan-2-yl]-4-(imidazol-1-ylmethyl)benzamide
CID 93490070
4-(imidazol-1-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93491347
N-[2-(dimethylamino)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 46774109
3-(imidazol-1-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzamide
CID 154775636

Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-4-(imidazol-1-ylmethyl)benzamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-4-(imidazol-1-ylmethyl)benzamide (CID 119104686) is N-(4,4-difluorocyclohexyl)-4-(imidazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-4-(imidazol-1-ylmethyl)benzamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-4-(imidazol-1-ylmethyl)benzamide is O=C(NC1CCC(F)(F)CC1)c1ccc(Cn2ccnc2)cc1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-4-(imidazol-1-ylmethyl)benzamide?
The InChIKey is MKRNCZDPKUXHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O/c18-17(19)7-5-15(6-8-17)21-16(23)14-3-1-13(2-4-14)11-22-10-9-20-12-22/h1-4,9-10,12,15H,5-8,11H2,(H,21,23).
What are the key properties of N-(4,4-difluorocyclohexyl)-4-(imidazol-1-ylmethyl)benzamide?
N-(4,4-difluorocyclohexyl)-4-(imidazol-1-ylmethyl)benzamide has a molecular weight of 319.35 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-4-(imidazol-1-ylmethyl)benzamide is sourced from PubChem (CID 119104686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).