N-[3-(1H-imidazol-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-methyl-3-(trifluoromethoxy)benzamide

C18H19F3N4O2 — CID 90353555

IUPACN-[3-(1H-imidazol-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-methyl-3-(trifluoromethoxy)benzamide
SMILESCN(C(=O)c1cccc(OC(F)(F)F)c1)C1C2CN(Cc3ncc[nH]3)CC21
InChIInChI=1S/C18H19F3N4O2/c1-24(17(26)11-3-2-4-12(7-11)27-18(19,20)21)16-13-8-25(9-14(13)16)10-15-22-5-6-23-15/h2-7,13-14,16H,8-10H2,1H3,(H,22,23)
InChIKeyKLNOLJSLOYEOGV-UHFFFAOYSA-N
MW380.37 g/mol
LogP2.51
Rot. Bonds5

About N-[3-(1H-imidazol-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-methyl-3-(trifluoromethoxy)benzamide

N-[3-(1H-imidazol-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-methyl-3-(trifluoromethoxy)benzamide (PubChem CID 90353555) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is N-[3-(1H-imidazol-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-methyl-3-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[3-(1H-imidazol-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-methyl-3-(trifluoromethoxy)benzamide
PubChem CID90353555
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC NameN-[3-(1H-imidazol-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-methyl-3-(trifluoromethoxy)benzamide
SMILESCN(C(=O)c1cccc(OC(F)(F)F)c1)C1C2CN(Cc3ncc[nH]3)CC21
InChIInChI=1S/C18H19F3N4O2/c1-24(17(26)11-3-2-4-12(7-11)27-18(19,20)21)16-13-8-25(9-14(13)16)10-15-22-5-6-23-15/h2-7,13-14,16H,8-10H2,1H3,(H,22,23)
InChIKeyKLNOLJSLOYEOGV-UHFFFAOYSA-N
XLogP2.51
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(trifluoromethoxy)benzamide
CID 90353390
N-[[3-[(2,4-dimethylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(trifluoromethoxy)benzamide
CID 69472811
N-[[3-[(2-fluorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(trifluoromethoxy)benzamide
CID 90353531
N-(1H-imidazol-2-ylmethyl)-3-(trifluoromethoxy)aniline
CID 54976604
3-[[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 95708664
1,4-diazabicyclo[2.2.2]octan-2-yl-[3-(trifluoromethoxy)phenyl]methanone
CID 79960181
[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 45228574
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-3-(trifluoromethoxy)benzamide
CID 90635820
(3aS,6aR)-2-(1H-imidazol-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 110126527
N-[[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(trifluoromethoxy)benzamide
CID 68777168
3-(dimethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 63928901
(4-ethylphenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 63411511

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-imidazol-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-methyl-3-(trifluoromethoxy)benzamide?
The IUPAC name of N-[3-(1H-imidazol-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-methyl-3-(trifluoromethoxy)benzamide (CID 90353555) is N-[3-(1H-imidazol-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-methyl-3-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[3-(1H-imidazol-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-methyl-3-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[3-(1H-imidazol-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-methyl-3-(trifluoromethoxy)benzamide is CN(C(=O)c1cccc(OC(F)(F)F)c1)C1C2CN(Cc3ncc[nH]3)CC21.
What is the InChIKey of N-[3-(1H-imidazol-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-methyl-3-(trifluoromethoxy)benzamide?
The InChIKey is KLNOLJSLOYEOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c1-24(17(26)11-3-2-4-12(7-11)27-18(19,20)21)16-13-8-25(9-14(13)16)10-15-22-5-6-23-15/h2-7,13-14,16H,8-10H2,1H3,(H,22,23).
What are the key properties of N-[3-(1H-imidazol-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-methyl-3-(trifluoromethoxy)benzamide?
N-[3-(1H-imidazol-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-methyl-3-(trifluoromethoxy)benzamide has a molecular weight of 380.37 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-imidazol-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-methyl-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 90353555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).