N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide

C19H21F3N4O2 — CID 11844911

IUPACN-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide
SMILESCn1cnc(C(=O)N(Cc2cccc(OC(F)(F)F)c2)CC2C3CNCC32)c1
InChIInChI=1S/C19H21F3N4O2/c1-25-10-17(24-11-25)18(27)26(9-16-14-6-23-7-15(14)16)8-12-3-2-4-13(5-12)28-19(20,21)22/h2-5,10-11,14-16,23H,6-9H2,1H3
InChIKeyLAXUUXLIBVHUAY-UHFFFAOYSA-N
MW394.40 g/mol
LogP2.43
Rot. Bonds6

About N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide

N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide (PubChem CID 11844911) has the molecular formula C19H21F3N4O2 and a molecular weight of 394.40 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide
PubChem CID11844911
Molecular FormulaC19H21F3N4O2
Molecular Weight394.40 g/mol
Exact Mass394.16
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide
SMILESCn1cnc(C(=O)N(Cc2cccc(OC(F)(F)F)c2)CC2C3CNCC32)c1
InChIInChI=1S/C19H21F3N4O2/c1-25-10-17(24-11-25)18(27)26(9-16-14-6-23-7-15(14)16)8-12-3-2-4-13(5-12)28-19(20,21)22/h2-5,10-11,14-16,23H,6-9H2,1H3
InChIKeyLAXUUXLIBVHUAY-UHFFFAOYSA-N
XLogP2.43
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide
CID 11952389
2-methyl-3-[6-[[(1-methylimidazole-4-carbonyl)-[[3-(trifluoromethoxy)phenyl]methyl]amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]propanoic acid
CID 142784071
N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-N-[[3-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenyl]methyl]-1-methylimidazole-4-carboxamide
CID 87145442
benzyl 2-[6-[[(1-methylimidazole-4-carbonyl)-[[3-(trifluoromethoxy)phenyl]methyl]amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]acetate
CID 66775543
ethyl 2-methyl-3-[6-[[(1-methylimidazole-4-carbonyl)-[[3-(trifluoromethoxy)phenyl]methyl]amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]propanoate
CID 11949896
N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide
CID 70306979
(1-methylimidazol-4-yl) N-[[3-[2-(3,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]carbamate
CID 90353576
(1-methylimidazol-4-yl) N-[[3-(naphthalen-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]carbamate
CID 90353724
(1-methylimidazol-4-yl) N-[[3-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]carbamate
CID 90353559
(1-methylimidazol-4-yl) N-[[3-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]carbamate
CID 90353691
(1-methylimidazol-4-yl) N-[[3-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]carbamate
CID 90353393
(1-methylimidazol-4-yl) N-[[3-(1,3-benzodioxol-4-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]carbamate
CID 90353629

Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide (CID 11844911) is N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide is Cn1cnc(C(=O)N(Cc2cccc(OC(F)(F)F)c2)CC2C3CNCC32)c1.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide?
The InChIKey is LAXUUXLIBVHUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O2/c1-25-10-17(24-11-25)18(27)26(9-16-14-6-23-7-15(14)16)8-12-3-2-4-13(5-12)28-19(20,21)22/h2-5,10-11,14-16,23H,6-9H2,1H3.
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide?
N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide has a molecular weight of 394.40 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide is sourced from PubChem (CID 11844911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).