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

C43H52Cl2F6N6O8 — CID 87965852

IUPAC2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[4-methyl-2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide;2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide
SMILESCc1cn(-c2ccc(Cl)c(C(=O)NCC3(O)CCCCCC3)c2)c(=O)n1CCOC(F)(F)F.O=C(NCC1(O)CCCCCC1)c1cc(-n2ccn(CCOC(F)(F)F)c2=O)ccc1Cl
InChIInChI=1S/C22H27ClF3N3O4.C21H25ClF3N3O4/c1-15-13-29(20(31)28(15)10-11-33-22(24,25)26)16-6-7-18(23)17(12-16)19(30)27-14-21(32)8-4-2-3-5-9-21;22-17-6-5-15(28-10-9-27(19(28)30)11-12-32-21(23,24)25)13-16(17)18(29)26-14-20(31)7-3-1-2-4-8-20/h6-7,12-13,32H,2-5,8-11,14H2,1H3,(H,27,30);5-6,9-10,13,31H,1-4,7-8,11-12,14H2,(H,26,29)
InChIKeyPHCHGXSBHBLHBP-UHFFFAOYSA-N
MW965.82 g/mol
LogP7.60
Rot. Bonds14

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

2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[4-methyl-2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide;2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide (PubChem CID 87965852) has the molecular formula C43H52Cl2F6N6O8 and a molecular weight of 965.82 g/mol. Its IUPAC name is 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[4-methyl-2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide;2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[4-methyl-2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide;2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide
PubChem CID87965852
Molecular FormulaC43H52Cl2F6N6O8
Molecular Weight965.82 g/mol
Exact Mass964.31
IUPAC Name2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[4-methyl-2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide;2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide
SMILESCc1cn(-c2ccc(Cl)c(C(=O)NCC3(O)CCCCCC3)c2)c(=O)n1CCOC(F)(F)F.O=C(NCC1(O)CCCCCC1)c1cc(-n2ccn(CCOC(F)(F)F)c2=O)ccc1Cl
InChIInChI=1S/C22H27ClF3N3O4.C21H25ClF3N3O4/c1-15-13-29(20(31)28(15)10-11-33-22(24,25)26)16-6-7-18(23)17(12-16)19(30)27-14-21(32)8-4-2-3-5-9-21;22-17-6-5-15(28-10-9-27(19(28)30)11-12-32-21(23,24)25)13-16(17)18(29)26-14-20(31)7-3-1-2-4-8-20/h6-7,12-13,32H,2-5,8-11,14H2,1H3,(H,27,30);5-6,9-10,13,31H,1-4,7-8,11-12,14H2,(H,26,29)
InChIKeyPHCHGXSBHBLHBP-UHFFFAOYSA-N
XLogP7.60
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 ≤ 57.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[4-methyl-2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide;2-chloro-N-[(1-hydroxycycloheptyl)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-[(1-hydroxycycloheptyl)methyl]-5-[4-methyl-2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide;2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide?
The IUPAC name of 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[4-methyl-2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide;2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide (CID 87965852) is 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[4-methyl-2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide;2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[4-methyl-2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide;2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide?
The canonical SMILES for 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[4-methyl-2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide;2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide is Cc1cn(-c2ccc(Cl)c(C(=O)NCC3(O)CCCCCC3)c2)c(=O)n1CCOC(F)(F)F.O=C(NCC1(O)CCCCCC1)c1cc(-n2ccn(CCOC(F)(F)F)c2=O)ccc1Cl.
What is the InChIKey of 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[4-methyl-2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide;2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide?
The InChIKey is PHCHGXSBHBLHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClF3N3O4.C21H25ClF3N3O4/c1-15-13-29(20(31)28(15)10-11-33-22(24,25)26)16-6-7-18(23)17(12-16)19(30)27-14-21(32)8-4-2-3-5-9-21;22-17-6-5-15(28-10-9-27(19(28)30)11-12-32-21(23,24)25)13-16(17)18(29)26-14-20(31)7-3-1-2-4-8-20/h6-7,12-13,32H,2-5,8-11,14H2,1H3,(H,27,30);5-6,9-10,13,31H,1-4,7-8,11-12,14H2,(H,26,29).
What are the key properties of 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[4-methyl-2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide;2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide?
2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[4-methyl-2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide;2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide has a molecular weight of 965.82 g/mol, XLogP of 7.60, 14 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[4-methyl-2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide;2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazol-1-yl]benzamide is sourced from PubChem (CID 87965852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).