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

C25H31F3N4O2 — CID 45270376

IUPACN-[[(1S,5R)-3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide
SMILESCn1cnc(C(=O)N(Cc2cccc(OC(F)(F)F)c2)CC2[C@H]3CN(CC4CCCC4)C[C@@H]23)c1
InChIInChI=1S/C25H31F3N4O2/c1-30-15-23(29-16-30)24(33)32(11-18-7-4-8-19(9-18)34-25(26,27)28)14-22-20-12-31(13-21(20)22)10-17-5-2-3-6-17/h4,7-9,15-17,20-22H,2-3,5-6,10-14H2,1H3/t20-,21+,22?
InChIKeyDBQBAHSSKFGSRU-CBQGHPETSA-N
MW476.54 g/mol
LogP4.33
Rot. Bonds8

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

N-[[(1S,5R)-3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide (PubChem CID 45270376) has the molecular formula C25H31F3N4O2 and a molecular weight of 476.54 g/mol. Its IUPAC name is N-[[(1S,5R)-3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(1S,5R)-3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide
PubChem CID45270376
Molecular FormulaC25H31F3N4O2
Molecular Weight476.54 g/mol
Exact Mass476.24
IUPAC NameN-[[(1S,5R)-3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide
SMILESCn1cnc(C(=O)N(Cc2cccc(OC(F)(F)F)c2)CC2[C@H]3CN(CC4CCCC4)C[C@@H]23)c1
InChIInChI=1S/C25H31F3N4O2/c1-30-15-23(29-16-30)24(33)32(11-18-7-4-8-19(9-18)34-25(26,27)28)14-22-20-12-31(13-21(20)22)10-17-5-2-3-6-17/h4,7-9,15-17,20-22H,2-3,5-6,10-14H2,1H3/t20-,21+,22?
InChIKeyDBQBAHSSKFGSRU-CBQGHPETSA-N
XLogP4.33
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S,5R)-3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide?
The IUPAC name of N-[[(1S,5R)-3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide (CID 45270376) is N-[[(1S,5R)-3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide.
What is the SMILES notation for N-[[(1S,5R)-3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide?
The canonical SMILES for N-[[(1S,5R)-3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide is Cn1cnc(C(=O)N(Cc2cccc(OC(F)(F)F)c2)CC2[C@H]3CN(CC4CCCC4)C[C@@H]23)c1.
What is the InChIKey of N-[[(1S,5R)-3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide?
The InChIKey is DBQBAHSSKFGSRU-CBQGHPETSA-N. The full InChI is InChI=1S/C25H31F3N4O2/c1-30-15-23(29-16-30)24(33)32(11-18-7-4-8-19(9-18)34-25(26,27)28)14-22-20-12-31(13-21(20)22)10-17-5-2-3-6-17/h4,7-9,15-17,20-22H,2-3,5-6,10-14H2,1H3/t20-,21+,22?.
What are the key properties of N-[[(1S,5R)-3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide?
N-[[(1S,5R)-3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide has a molecular weight of 476.54 g/mol, XLogP of 4.33, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,5R)-3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide is sourced from PubChem (CID 45270376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).