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

C26H26ClF3N4O2 — CID 11952207

IUPACN-[(3-chlorophenyl)methyl]-1-methyl-N-[[3-[[4-(trifluoromethoxy)phenyl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide
SMILESCn1cnc(C(=O)N(Cc2cccc(Cl)c2)CC2C3CN(Cc4ccc(OC(F)(F)F)cc4)CC32)c1
InChIInChI=1S/C26H26ClF3N4O2/c1-32-15-24(31-16-32)25(35)34(11-18-3-2-4-19(27)9-18)14-23-21-12-33(13-22(21)23)10-17-5-7-20(8-6-17)36-26(28,29)30/h2-9,15-16,21-23H,10-14H2,1H3
InChIKeyXMBAEMMSEFOTME-UHFFFAOYSA-N
MW518.97 g/mol
LogP4.99
Rot. Bonds8

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

N-[(3-chlorophenyl)methyl]-1-methyl-N-[[3-[[4-(trifluoromethoxy)phenyl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide (PubChem CID 11952207) has the molecular formula C26H26ClF3N4O2 and a molecular weight of 518.97 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-methyl-N-[[3-[[4-(trifluoromethoxy)phenyl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-methyl-N-[[3-[[4-(trifluoromethoxy)phenyl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide
PubChem CID11952207
Molecular FormulaC26H26ClF3N4O2
Molecular Weight518.97 g/mol
Exact Mass518.17
IUPAC NameN-[(3-chlorophenyl)methyl]-1-methyl-N-[[3-[[4-(trifluoromethoxy)phenyl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide
SMILESCn1cnc(C(=O)N(Cc2cccc(Cl)c2)CC2C3CN(Cc4ccc(OC(F)(F)F)cc4)CC32)c1
InChIInChI=1S/C26H26ClF3N4O2/c1-32-15-24(31-16-32)25(35)34(11-18-3-2-4-19(27)9-18)14-23-21-12-33(13-22(21)23)10-17-5-7-20(8-6-17)36-26(28,29)30/h2-9,15-16,21-23H,10-14H2,1H3
InChIKeyXMBAEMMSEFOTME-UHFFFAOYSA-N
XLogP4.99
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.97
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-methyl-N-[[3-[[4-(trifluoromethoxy)phenyl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-methyl-N-[[3-[[4-(trifluoromethoxy)phenyl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide (CID 11952207) is N-[(3-chlorophenyl)methyl]-1-methyl-N-[[3-[[4-(trifluoromethoxy)phenyl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-methyl-N-[[3-[[4-(trifluoromethoxy)phenyl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-methyl-N-[[3-[[4-(trifluoromethoxy)phenyl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide is Cn1cnc(C(=O)N(Cc2cccc(Cl)c2)CC2C3CN(Cc4ccc(OC(F)(F)F)cc4)CC32)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-methyl-N-[[3-[[4-(trifluoromethoxy)phenyl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide?
The InChIKey is XMBAEMMSEFOTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClF3N4O2/c1-32-15-24(31-16-32)25(35)34(11-18-3-2-4-19(27)9-18)14-23-21-12-33(13-22(21)23)10-17-5-7-20(8-6-17)36-26(28,29)30/h2-9,15-16,21-23H,10-14H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-1-methyl-N-[[3-[[4-(trifluoromethoxy)phenyl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide?
N-[(3-chlorophenyl)methyl]-1-methyl-N-[[3-[[4-(trifluoromethoxy)phenyl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide has a molecular weight of 518.97 g/mol, XLogP of 4.99, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1-methyl-N-[[3-[[4-(trifluoromethoxy)phenyl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide is sourced from PubChem (CID 11952207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).