N-[3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-3-[3-(trifluoromethyl)phenyl]-2H-imidazole-1-carboxamide

C24H25F3N4O2 — CID 162207380

IUPACN-[3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-3-[3-(trifluoromethyl)phenyl]-2H-imidazole-1-carboxamide
SMILESCOc1ccc(CN2CC3C(C2)C3NC(=O)N2C=CN(c3cccc(C(F)(F)F)c3)C2)cc1
InChIInChI=1S/C24H25F3N4O2/c1-33-19-7-5-16(6-8-19)12-29-13-20-21(14-29)22(20)28-23(32)31-10-9-30(15-31)18-4-2-3-17(11-18)24(25,26)27/h2-11,20-22H,12-15H2,1H3,(H,28,32)
InChIKeyZSJNDSNLWIHFAJ-UHFFFAOYSA-N
MW458.48 g/mol
LogP4.10
Rot. Bonds5

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

N-[3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-3-[3-(trifluoromethyl)phenyl]-2H-imidazole-1-carboxamide (PubChem CID 162207380) has the molecular formula C24H25F3N4O2 and a molecular weight of 458.48 g/mol. Its IUPAC name is N-[3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-3-[3-(trifluoromethyl)phenyl]-2H-imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-3-[3-(trifluoromethyl)phenyl]-2H-imidazole-1-carboxamide
PubChem CID162207380
Molecular FormulaC24H25F3N4O2
Molecular Weight458.48 g/mol
Exact Mass458.19
IUPAC NameN-[3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-3-[3-(trifluoromethyl)phenyl]-2H-imidazole-1-carboxamide
SMILESCOc1ccc(CN2CC3C(C2)C3NC(=O)N2C=CN(c3cccc(C(F)(F)F)c3)C2)cc1
InChIInChI=1S/C24H25F3N4O2/c1-33-19-7-5-16(6-8-19)12-29-13-20-21(14-29)22(20)28-23(32)31-10-9-30(15-31)18-4-2-3-17(11-18)24(25,26)27/h2-11,20-22H,12-15H2,1H3,(H,28,32)
InChIKeyZSJNDSNLWIHFAJ-UHFFFAOYSA-N
XLogP4.10
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.48
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-3-[3-(trifluoromethyl)phenyl]-2H-imidazole-1-carboxamide?
The IUPAC name of N-[3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-3-[3-(trifluoromethyl)phenyl]-2H-imidazole-1-carboxamide (CID 162207380) is N-[3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-3-[3-(trifluoromethyl)phenyl]-2H-imidazole-1-carboxamide.
What is the SMILES notation for N-[3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-3-[3-(trifluoromethyl)phenyl]-2H-imidazole-1-carboxamide?
The canonical SMILES for N-[3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-3-[3-(trifluoromethyl)phenyl]-2H-imidazole-1-carboxamide is COc1ccc(CN2CC3C(C2)C3NC(=O)N2C=CN(c3cccc(C(F)(F)F)c3)C2)cc1.
What is the InChIKey of N-[3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-3-[3-(trifluoromethyl)phenyl]-2H-imidazole-1-carboxamide?
The InChIKey is ZSJNDSNLWIHFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O2/c1-33-19-7-5-16(6-8-19)12-29-13-20-21(14-29)22(20)28-23(32)31-10-9-30(15-31)18-4-2-3-17(11-18)24(25,26)27/h2-11,20-22H,12-15H2,1H3,(H,28,32).
What are the key properties of N-[3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-3-[3-(trifluoromethyl)phenyl]-2H-imidazole-1-carboxamide?
N-[3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-3-[3-(trifluoromethyl)phenyl]-2H-imidazole-1-carboxamide has a molecular weight of 458.48 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-3-[3-(trifluoromethyl)phenyl]-2H-imidazole-1-carboxamide is sourced from PubChem (CID 162207380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).