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

C19H21F3N4O — CID 11952389

IUPACN-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide
SMILESCn1cnc(C(=O)N(Cc2cccc(C(F)(F)F)c2)CC2C3CNCC32)c1
InChIInChI=1S/C19H21F3N4O/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)19(20,21)22/h2-5,10-11,14-16,23H,6-9H2,1H3
InChIKeyLIISIJJLSVWJKR-UHFFFAOYSA-N
MW378.40 g/mol
LogP2.55
Rot. Bonds5

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

N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide (PubChem CID 11952389) has the molecular formula C19H21F3N4O and a molecular weight of 378.40 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide
PubChem CID11952389
Molecular FormulaC19H21F3N4O
Molecular Weight378.40 g/mol
Exact Mass378.17
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide
SMILESCn1cnc(C(=O)N(Cc2cccc(C(F)(F)F)c2)CC2C3CNCC32)c1
InChIInChI=1S/C19H21F3N4O/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)19(20,21)22/h2-5,10-11,14-16,23H,6-9H2,1H3
InChIKeyLIISIJJLSVWJKR-UHFFFAOYSA-N
XLogP2.55
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide with MolForge

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Related Compounds

N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide
CID 11844911
1-methyl-N-(thian-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide
CID 46916816
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
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
(1-methylimidazol-4-yl) N-[[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]carbamate
CID 90353603
1-(1-methylimidazol-4-yl)-3-[3-(trifluoromethyl)phenyl]propane-1,3-dione
CID 107972641
3,5-dichloro-N-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 2766762
1-methyl-N-[(3-methylphenyl)methyl]-N-(oxan-4-yl)imidazole-4-carboxamide
CID 158964319
2-chloro-N-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-N-[(1-methylimidazol-4-yl)methyl]-3-(trifluoromethyl)benzamide
CID 69472301
1-(3-azabicyclo[3.1.0]hexan-6-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine;1-methylimidazole-4-carboxylic acid
CID 171927277
N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-methyl-1-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methanamine;dihydrochloride
CID 154899813
N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide
CID 70306979

Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide (CID 11952389) is N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide is Cn1cnc(C(=O)N(Cc2cccc(C(F)(F)F)c2)CC2C3CNCC32)c1.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide?
The InChIKey is LIISIJJLSVWJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O/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)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-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide?
N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide has a molecular weight of 378.40 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 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-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide is sourced from PubChem (CID 11952389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).