1-methyl-N-[[3-[(1-methylimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide

C24H27F3N6O2 — CID 11949894

IUPAC1-methyl-N-[[3-[(1-methylimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide
SMILESCn1cnc(C(=O)N(Cc2cccc(OC(F)(F)F)c2)CC2C3CN(Cc4nccn4C)CC32)c1
InChIInChI=1S/C24H27F3N6O2/c1-30-13-21(29-15-30)23(34)33(9-16-4-3-5-17(8-16)35-24(25,26)27)12-20-18-10-32(11-19(18)20)14-22-28-6-7-31(22)2/h3-8,13,15,18-20H,9-12,14H2,1-2H3
InChIKeyYWLWRGRCSNSAPD-UHFFFAOYSA-N
MW488.51 g/mol
LogP3.07
Rot. Bonds8

About 1-methyl-N-[[3-[(1-methylimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide

1-methyl-N-[[3-[(1-methylimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide (PubChem CID 11949894) has the molecular formula C24H27F3N6O2 and a molecular weight of 488.51 g/mol. Its IUPAC name is 1-methyl-N-[[3-[(1-methylimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[3-[(1-methylimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide
PubChem CID11949894
Molecular FormulaC24H27F3N6O2
Molecular Weight488.51 g/mol
Exact Mass488.21
IUPAC Name1-methyl-N-[[3-[(1-methylimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide
SMILESCn1cnc(C(=O)N(Cc2cccc(OC(F)(F)F)c2)CC2C3CN(Cc4nccn4C)CC32)c1
InChIInChI=1S/C24H27F3N6O2/c1-30-13-21(29-15-30)23(34)33(9-16-4-3-5-17(8-16)35-24(25,26)27)12-20-18-10-32(11-19(18)20)14-22-28-6-7-31(22)2/h3-8,13,15,18-20H,9-12,14H2,1-2H3
InChIKeyYWLWRGRCSNSAPD-UHFFFAOYSA-N
XLogP3.07
TPSA68.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.51
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[3-[(1-methylimidazol-2-yl)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-[[3-[(1-methylimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide (CID 11949894) is 1-methyl-N-[[3-[(1-methylimidazol-2-yl)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-[[3-[(1-methylimidazol-2-yl)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-[[3-[(1-methylimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide is Cn1cnc(C(=O)N(Cc2cccc(OC(F)(F)F)c2)CC2C3CN(Cc4nccn4C)CC32)c1.
What is the InChIKey of 1-methyl-N-[[3-[(1-methylimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide?
The InChIKey is YWLWRGRCSNSAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N6O2/c1-30-13-21(29-15-30)23(34)33(9-16-4-3-5-17(8-16)35-24(25,26)27)12-20-18-10-32(11-19(18)20)14-22-28-6-7-31(22)2/h3-8,13,15,18-20H,9-12,14H2,1-2H3.
What are the key properties of 1-methyl-N-[[3-[(1-methylimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide?
1-methyl-N-[[3-[(1-methylimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide has a molecular weight of 488.51 g/mol, XLogP of 3.07, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[3-[(1-methylimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide is sourced from PubChem (CID 11949894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).