[2-[4-chloro-3-(1H-imidazol-2-yl)phenyl]-2-[(4R)-4-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4-(2,2-dimethylpropyl)-5-oxo-2-[(2,2,2-trifluoroacetyl)amino]imidazol-1-yl]ethyl] N-cyclopropylcarbamate

C35H34ClF5N8O4 — CID 138732872

IUPAC[2-[4-chloro-3-(1H-imidazol-2-yl)phenyl]-2-[(4R)-4-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4-(2,2-dimethylpropyl)-5-oxo-2-[(2,2,2-trifluoroacetyl)amino]imidazol-1-yl]ethyl] N-cyclopropylcarbamate
SMILESCC(C)(C)C[C@]1(c2ccc(-c3cnn(C(F)F)c3)cc2)N=C(NC(=O)C(F)(F)F)N(C(COC(=O)NC2CC2)c2ccc(Cl)c(-c3ncc[nH]3)c2)C1=O
InChIInChI=1S/C35H34ClF5N8O4/c1-33(2,3)18-34(22-7-4-19(5-8-22)21-15-44-48(16-21)30(37)38)29(51)49(31(47-34)46-28(50)35(39,40)41)26(17-53-32(52)45-23-9-10-23)20-6-11-25(36)24(14-20)27-42-12-13-43-27/h4-8,11-16,23,26,30H,9-10,17-18H2,1-3H3,(H,42,43)(H,45,52)(H,46,47,50)/t26?,34-/m1/s1
InChIKeyVUSYXUHLQKELIH-OMFPCOHASA-N
MW761.15 g/mol
LogP7.13
Rot. Bonds10

About [2-[4-chloro-3-(1H-imidazol-2-yl)phenyl]-2-[(4R)-4-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4-(2,2-dimethylpropyl)-5-oxo-2-[(2,2,2-trifluoroacetyl)amino]imidazol-1-yl]ethyl] N-cyclopropylcarbamate

[2-[4-chloro-3-(1H-imidazol-2-yl)phenyl]-2-[(4R)-4-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4-(2,2-dimethylpropyl)-5-oxo-2-[(2,2,2-trifluoroacetyl)amino]imidazol-1-yl]ethyl] N-cyclopropylcarbamate (PubChem CID 138732872) has the molecular formula C35H34ClF5N8O4 and a molecular weight of 761.15 g/mol. Its IUPAC name is [2-[4-chloro-3-(1H-imidazol-2-yl)phenyl]-2-[(4R)-4-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4-(2,2-dimethylpropyl)-5-oxo-2-[(2,2,2-trifluoroacetyl)amino]imidazol-1-yl]ethyl] N-cyclopropylcarbamate.

Molecular Properties

Compound Name[2-[4-chloro-3-(1H-imidazol-2-yl)phenyl]-2-[(4R)-4-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4-(2,2-dimethylpropyl)-5-oxo-2-[(2,2,2-trifluoroacetyl)amino]imidazol-1-yl]ethyl] N-cyclopropylcarbamate
PubChem CID138732872
Molecular FormulaC35H34ClF5N8O4
Molecular Weight761.15 g/mol
Exact Mass760.23
IUPAC Name[2-[4-chloro-3-(1H-imidazol-2-yl)phenyl]-2-[(4R)-4-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4-(2,2-dimethylpropyl)-5-oxo-2-[(2,2,2-trifluoroacetyl)amino]imidazol-1-yl]ethyl] N-cyclopropylcarbamate
SMILESCC(C)(C)C[C@]1(c2ccc(-c3cnn(C(F)F)c3)cc2)N=C(NC(=O)C(F)(F)F)N(C(COC(=O)NC2CC2)c2ccc(Cl)c(-c3ncc[nH]3)c2)C1=O
InChIInChI=1S/C35H34ClF5N8O4/c1-33(2,3)18-34(22-7-4-19(5-8-22)21-15-44-48(16-21)30(37)38)29(51)49(31(47-34)46-28(50)35(39,40)41)26(17-53-32(52)45-23-9-10-23)20-6-11-25(36)24(14-20)27-42-12-13-43-27/h4-8,11-16,23,26,30H,9-10,17-18H2,1-3H3,(H,42,43)(H,45,52)(H,46,47,50)/t26?,34-/m1/s1
InChIKeyVUSYXUHLQKELIH-OMFPCOHASA-N
XLogP7.13
TPSA146.60 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.15
LogP ≤ 57.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [2-[4-chloro-3-(1H-imidazol-2-yl)phenyl]-2-[(4R)-4-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4-(2,2-dimethylpropyl)-5-oxo-2-[(2,2,2-trifluoroacetyl)amino]imidazol-1-yl]ethyl] N-cyclopropylcarbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-[4-chloro-3-(1H-imidazol-2-yl)phenyl]-2-[(4R)-4-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4-(2,2-dimethylpropyl)-5-oxo-2-[(2,2,2-trifluoroacetyl)amino]imidazol-1-yl]ethyl] N-cyclopropylcarbamate?
The IUPAC name of [2-[4-chloro-3-(1H-imidazol-2-yl)phenyl]-2-[(4R)-4-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4-(2,2-dimethylpropyl)-5-oxo-2-[(2,2,2-trifluoroacetyl)amino]imidazol-1-yl]ethyl] N-cyclopropylcarbamate (CID 138732872) is [2-[4-chloro-3-(1H-imidazol-2-yl)phenyl]-2-[(4R)-4-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4-(2,2-dimethylpropyl)-5-oxo-2-[(2,2,2-trifluoroacetyl)amino]imidazol-1-yl]ethyl] N-cyclopropylcarbamate.
What is the SMILES notation for [2-[4-chloro-3-(1H-imidazol-2-yl)phenyl]-2-[(4R)-4-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4-(2,2-dimethylpropyl)-5-oxo-2-[(2,2,2-trifluoroacetyl)amino]imidazol-1-yl]ethyl] N-cyclopropylcarbamate?
The canonical SMILES for [2-[4-chloro-3-(1H-imidazol-2-yl)phenyl]-2-[(4R)-4-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4-(2,2-dimethylpropyl)-5-oxo-2-[(2,2,2-trifluoroacetyl)amino]imidazol-1-yl]ethyl] N-cyclopropylcarbamate is CC(C)(C)C[C@]1(c2ccc(-c3cnn(C(F)F)c3)cc2)N=C(NC(=O)C(F)(F)F)N(C(COC(=O)NC2CC2)c2ccc(Cl)c(-c3ncc[nH]3)c2)C1=O.
What is the InChIKey of [2-[4-chloro-3-(1H-imidazol-2-yl)phenyl]-2-[(4R)-4-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4-(2,2-dimethylpropyl)-5-oxo-2-[(2,2,2-trifluoroacetyl)amino]imidazol-1-yl]ethyl] N-cyclopropylcarbamate?
The InChIKey is VUSYXUHLQKELIH-OMFPCOHASA-N. The full InChI is InChI=1S/C35H34ClF5N8O4/c1-33(2,3)18-34(22-7-4-19(5-8-22)21-15-44-48(16-21)30(37)38)29(51)49(31(47-34)46-28(50)35(39,40)41)26(17-53-32(52)45-23-9-10-23)20-6-11-25(36)24(14-20)27-42-12-13-43-27/h4-8,11-16,23,26,30H,9-10,17-18H2,1-3H3,(H,42,43)(H,45,52)(H,46,47,50)/t26?,34-/m1/s1.
What are the key properties of [2-[4-chloro-3-(1H-imidazol-2-yl)phenyl]-2-[(4R)-4-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4-(2,2-dimethylpropyl)-5-oxo-2-[(2,2,2-trifluoroacetyl)amino]imidazol-1-yl]ethyl] N-cyclopropylcarbamate?
[2-[4-chloro-3-(1H-imidazol-2-yl)phenyl]-2-[(4R)-4-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4-(2,2-dimethylpropyl)-5-oxo-2-[(2,2,2-trifluoroacetyl)amino]imidazol-1-yl]ethyl] N-cyclopropylcarbamate has a molecular weight of 761.15 g/mol, XLogP of 7.13, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-chloro-3-(1H-imidazol-2-yl)phenyl]-2-[(4R)-4-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4-(2,2-dimethylpropyl)-5-oxo-2-[(2,2,2-trifluoroacetyl)amino]imidazol-1-yl]ethyl] N-cyclopropylcarbamate is sourced from PubChem (CID 138732872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).