2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-[4-methyl-2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide;2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-[2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide

C43H52Cl2F6N6O8 — CID 87965853

IUPAC2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-[4-methyl-2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide;2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-[2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide
SMILESCc1cn(-c2ccc(Cl)c(C(=O)NC(O)C3CCCCCC3)c2)c(=O)n1CCOC(F)(F)F.O=C(NC(O)C1CCCCCC1)c1cc(-n2ccn(CCOC(F)(F)F)c2=O)ccc1Cl
InChIInChI=1S/C22H27ClF3N3O4.C21H25ClF3N3O4/c1-14-13-29(21(32)28(14)10-11-33-22(24,25)26)16-8-9-18(23)17(12-16)20(31)27-19(30)15-6-4-2-3-5-7-15;22-17-8-7-15(28-10-9-27(20(28)31)11-12-32-21(23,24)25)13-16(17)19(30)26-18(29)14-5-3-1-2-4-6-14/h8-9,12-13,15,19,30H,2-7,10-11H2,1H3,(H,27,31);7-10,13-14,18,29H,1-6,11-12H2,(H,26,30)
InChIKeyWSNQKMLBWCYRSB-UHFFFAOYSA-N
MW965.82 g/mol
LogP8.00
Rot. Bonds14

About 2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-[4-methyl-2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide;2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-[2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide

2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-[4-methyl-2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide;2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-[2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide (PubChem CID 87965853) has the molecular formula C43H52Cl2F6N6O8 and a molecular weight of 965.82 g/mol. Its IUPAC name is 2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-[4-methyl-2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide;2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-[2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-[4-methyl-2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide;2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-[2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide
PubChem CID87965853
Molecular FormulaC43H52Cl2F6N6O8
Molecular Weight965.82 g/mol
Exact Mass964.31
IUPAC Name2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-[4-methyl-2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide;2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-[2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide
SMILESCc1cn(-c2ccc(Cl)c(C(=O)NC(O)C3CCCCCC3)c2)c(=O)n1CCOC(F)(F)F.O=C(NC(O)C1CCCCCC1)c1cc(-n2ccn(CCOC(F)(F)F)c2=O)ccc1Cl
InChIInChI=1S/C22H27ClF3N3O4.C21H25ClF3N3O4/c1-14-13-29(21(32)28(14)10-11-33-22(24,25)26)16-8-9-18(23)17(12-16)20(31)27-19(30)15-6-4-2-3-5-7-15;22-17-8-7-15(28-10-9-27(20(28)31)11-12-32-21(23,24)25)13-16(17)19(30)26-18(29)14-5-3-1-2-4-6-14/h8-9,12-13,15,19,30H,2-7,10-11H2,1H3,(H,27,31);7-10,13-14,18,29H,1-6,11-12H2,(H,26,30)
InChIKeyWSNQKMLBWCYRSB-UHFFFAOYSA-N
XLogP8.00
TPSA170.98 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500965.82
LogP ≤ 58.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-[4-methyl-2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide;2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-[2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide 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 2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-[4-methyl-2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide;2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-[2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide?
The IUPAC name of 2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-[4-methyl-2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide;2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-[2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide (CID 87965853) is 2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-[4-methyl-2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide;2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-[2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-[4-methyl-2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide;2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-[2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide?
The canonical SMILES for 2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-[4-methyl-2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide;2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-[2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide is Cc1cn(-c2ccc(Cl)c(C(=O)NC(O)C3CCCCCC3)c2)c(=O)n1CCOC(F)(F)F.O=C(NC(O)C1CCCCCC1)c1cc(-n2ccn(CCOC(F)(F)F)c2=O)ccc1Cl.
What is the InChIKey of 2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-[4-methyl-2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide;2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-[2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide?
The InChIKey is WSNQKMLBWCYRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClF3N3O4.C21H25ClF3N3O4/c1-14-13-29(21(32)28(14)10-11-33-22(24,25)26)16-8-9-18(23)17(12-16)20(31)27-19(30)15-6-4-2-3-5-7-15;22-17-8-7-15(28-10-9-27(20(28)31)11-12-32-21(23,24)25)13-16(17)19(30)26-18(29)14-5-3-1-2-4-6-14/h8-9,12-13,15,19,30H,2-7,10-11H2,1H3,(H,27,31);7-10,13-14,18,29H,1-6,11-12H2,(H,26,30).
What are the key properties of 2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-[4-methyl-2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide;2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-[2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide?
2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-[4-methyl-2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide;2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-[2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide has a molecular weight of 965.82 g/mol, XLogP of 8.00, 14 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-[4-methyl-2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide;2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-[2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide is sourced from PubChem (CID 87965853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).