1-methyl-N-[[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide

C20H23F3N4O2 — CID 45272939

IUPAC1-methyl-N-[[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide
SMILESCN1C[C@@H]2C(CN(Cc3cccc(OC(F)(F)F)c3)C(=O)c3cn(C)cn3)[C@@H]2C1
InChIInChI=1S/C20H23F3N4O2/c1-25-8-15-16(9-25)17(15)10-27(19(28)18-11-26(2)12-24-18)7-13-4-3-5-14(6-13)29-20(21,22)23/h3-6,11-12,15-17H,7-10H2,1-2H3/t15-,16+,17?
InChIKeyAZPNIOXCMXPLKP-SJPCQFCGSA-N
MW408.42 g/mol
LogP2.77
Rot. Bonds6

About 1-methyl-N-[[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide

1-methyl-N-[[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide (PubChem CID 45272939) has the molecular formula C20H23F3N4O2 and a molecular weight of 408.42 g/mol. Its IUPAC name is 1-methyl-N-[[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide
PubChem CID45272939
Molecular FormulaC20H23F3N4O2
Molecular Weight408.42 g/mol
Exact Mass408.18
IUPAC Name1-methyl-N-[[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide
SMILESCN1C[C@@H]2C(CN(Cc3cccc(OC(F)(F)F)c3)C(=O)c3cn(C)cn3)[C@@H]2C1
InChIInChI=1S/C20H23F3N4O2/c1-25-8-15-16(9-25)17(15)10-27(19(28)18-11-26(2)12-24-18)7-13-4-3-5-14(6-13)29-20(21,22)23/h3-6,11-12,15-17H,7-10H2,1-2H3/t15-,16+,17?
InChIKeyAZPNIOXCMXPLKP-SJPCQFCGSA-N
XLogP2.77
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-methyl-N-[[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide (CID 45272939) is 1-methyl-N-[[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide is CN1C[C@@H]2C(CN(Cc3cccc(OC(F)(F)F)c3)C(=O)c3cn(C)cn3)[C@@H]2C1.
What is the InChIKey of 1-methyl-N-[[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide?
The InChIKey is AZPNIOXCMXPLKP-SJPCQFCGSA-N. The full InChI is InChI=1S/C20H23F3N4O2/c1-25-8-15-16(9-25)17(15)10-27(19(28)18-11-26(2)12-24-18)7-13-4-3-5-14(6-13)29-20(21,22)23/h3-6,11-12,15-17H,7-10H2,1-2H3/t15-,16+,17?.
What are the key properties of 1-methyl-N-[[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide?
1-methyl-N-[[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide has a molecular weight of 408.42 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide is sourced from PubChem (CID 45272939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).