1-(3-cyclopentyl-3-azabicyclo[3.1.0]hexan-6-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine;1-methylimidazole-4-carboxylic acid

C24H31F3N4O3 — CID 162542269

IUPAC1-(3-cyclopentyl-3-azabicyclo[3.1.0]hexan-6-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine;1-methylimidazole-4-carboxylic acid
SMILESCn1cnc(C(=O)O)c1.FC(F)(F)Oc1cccc(CNCC2C3CN(C4CCCC4)CC23)c1
InChIInChI=1S/C19H25F3N2O.C5H6N2O2/c20-19(21,22)25-15-7-3-4-13(8-15)9-23-10-16-17-11-24(12-18(16)17)14-5-1-2-6-14;1-7-2-4(5(8)9)6-3-7/h3-4,7-8,14,16-18,23H,1-2,5-6,9-12H2;2-3H,1H3,(H,8,9)
InChIKeyVCTFTXPUMBLEQR-UHFFFAOYSA-N
MW480.53 g/mol
LogP3.91
Rot. Bonds7

About 1-(3-cyclopentyl-3-azabicyclo[3.1.0]hexan-6-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine;1-methylimidazole-4-carboxylic acid

1-(3-cyclopentyl-3-azabicyclo[3.1.0]hexan-6-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine;1-methylimidazole-4-carboxylic acid (PubChem CID 162542269) has the molecular formula C24H31F3N4O3 and a molecular weight of 480.53 g/mol. Its IUPAC name is 1-(3-cyclopentyl-3-azabicyclo[3.1.0]hexan-6-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine;1-methylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-cyclopentyl-3-azabicyclo[3.1.0]hexan-6-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine;1-methylimidazole-4-carboxylic acid
PubChem CID162542269
Molecular FormulaC24H31F3N4O3
Molecular Weight480.53 g/mol
Exact Mass480.23
IUPAC Name1-(3-cyclopentyl-3-azabicyclo[3.1.0]hexan-6-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine;1-methylimidazole-4-carboxylic acid
SMILESCn1cnc(C(=O)O)c1.FC(F)(F)Oc1cccc(CNCC2C3CN(C4CCCC4)CC23)c1
InChIInChI=1S/C19H25F3N2O.C5H6N2O2/c20-19(21,22)25-15-7-3-4-13(8-15)9-23-10-16-17-11-24(12-18(16)17)14-5-1-2-6-14;1-7-2-4(5(8)9)6-3-7/h3-4,7-8,14,16-18,23H,1-2,5-6,9-12H2;2-3H,1H3,(H,8,9)
InChIKeyVCTFTXPUMBLEQR-UHFFFAOYSA-N
XLogP3.91
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.53
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(3-cyclopentyl-3-azabicyclo[3.1.0]hexan-6-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine;1-methylimidazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentyl-3-azabicyclo[3.1.0]hexan-6-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine;1-methylimidazole-4-carboxylic acid?
The IUPAC name of 1-(3-cyclopentyl-3-azabicyclo[3.1.0]hexan-6-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine;1-methylimidazole-4-carboxylic acid (CID 162542269) is 1-(3-cyclopentyl-3-azabicyclo[3.1.0]hexan-6-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine;1-methylimidazole-4-carboxylic acid.
What is the SMILES notation for 1-(3-cyclopentyl-3-azabicyclo[3.1.0]hexan-6-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine;1-methylimidazole-4-carboxylic acid?
The canonical SMILES for 1-(3-cyclopentyl-3-azabicyclo[3.1.0]hexan-6-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine;1-methylimidazole-4-carboxylic acid is Cn1cnc(C(=O)O)c1.FC(F)(F)Oc1cccc(CNCC2C3CN(C4CCCC4)CC23)c1.
What is the InChIKey of 1-(3-cyclopentyl-3-azabicyclo[3.1.0]hexan-6-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine;1-methylimidazole-4-carboxylic acid?
The InChIKey is VCTFTXPUMBLEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O.C5H6N2O2/c20-19(21,22)25-15-7-3-4-13(8-15)9-23-10-16-17-11-24(12-18(16)17)14-5-1-2-6-14;1-7-2-4(5(8)9)6-3-7/h3-4,7-8,14,16-18,23H,1-2,5-6,9-12H2;2-3H,1H3,(H,8,9).
What are the key properties of 1-(3-cyclopentyl-3-azabicyclo[3.1.0]hexan-6-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine;1-methylimidazole-4-carboxylic acid?
1-(3-cyclopentyl-3-azabicyclo[3.1.0]hexan-6-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine;1-methylimidazole-4-carboxylic acid has a molecular weight of 480.53 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentyl-3-azabicyclo[3.1.0]hexan-6-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine;1-methylimidazole-4-carboxylic acid is sourced from PubChem (CID 162542269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).