[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl] N-(5,6-dichloro-1-methylbenzimidazol-2-yl)carbamate

C19H11Cl3F3N5O2 — CID 87445596

IUPAC[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl] N-(5,6-dichloro-1-methylbenzimidazol-2-yl)carbamate
SMILESCn1c(NC(=O)Oc2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C19H11Cl3F3N5O2/c1-29-14-7-12(22)11(21)6-13(14)27-17(29)28-18(31)32-15-8-26-30(16(15)19(23,24)25)10-4-2-9(20)3-5-10/h2-8H,1H3,(H,27,28,31)
InChIKeyYNISQODRBNICSF-UHFFFAOYSA-N
MW504.68 g/mol
LogP6.35
Rot. Bonds3

About [1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl] N-(5,6-dichloro-1-methylbenzimidazol-2-yl)carbamate

[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl] N-(5,6-dichloro-1-methylbenzimidazol-2-yl)carbamate (PubChem CID 87445596) has the molecular formula C19H11Cl3F3N5O2 and a molecular weight of 504.68 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl] N-(5,6-dichloro-1-methylbenzimidazol-2-yl)carbamate.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl] N-(5,6-dichloro-1-methylbenzimidazol-2-yl)carbamate
PubChem CID87445596
Molecular FormulaC19H11Cl3F3N5O2
Molecular Weight504.68 g/mol
Exact Mass502.99
IUPAC Name[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl] N-(5,6-dichloro-1-methylbenzimidazol-2-yl)carbamate
SMILESCn1c(NC(=O)Oc2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C19H11Cl3F3N5O2/c1-29-14-7-12(22)11(21)6-13(14)27-17(29)28-18(31)32-15-8-26-30(16(15)19(23,24)25)10-4-2-9(20)3-5-10/h2-8H,1H3,(H,27,28,31)
InChIKeyYNISQODRBNICSF-UHFFFAOYSA-N
XLogP6.35
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.68
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chlorophenyl)-N-(1,6-dimethylbenzimidazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 91014233
[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl] N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamate
CID 87445312
[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl] N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)carbamate
CID 87445957
[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl] N-(2,4,6-triethyl-3-nitrophenyl)carbamate
CID 87446605
1-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-(3,4-dichlorophenyl)urea
CID 21104983
N-(5-chloro-2,4-dimethoxyphenyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24594336
methyl N-[4-[[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]carbamate
CID 55804670
[1-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyrazol-4-yl] N-pyridin-4-ylcarbamate
CID 87446039
N-(3-acetamidophenyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 18270790
1-(4-chlorophenyl)-N-[2-chloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 91039946
N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-4-methylpiperazine-1-carboxamide
CID 91507780
[1-(2,5-dichlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl] N-[[3,5-bis(trifluoromethyl)phenyl]methyl]carbamate
CID 87446106

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl] N-(5,6-dichloro-1-methylbenzimidazol-2-yl)carbamate?
The IUPAC name of [1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl] N-(5,6-dichloro-1-methylbenzimidazol-2-yl)carbamate (CID 87445596) is [1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl] N-(5,6-dichloro-1-methylbenzimidazol-2-yl)carbamate.
What is the SMILES notation for [1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl] N-(5,6-dichloro-1-methylbenzimidazol-2-yl)carbamate?
The canonical SMILES for [1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl] N-(5,6-dichloro-1-methylbenzimidazol-2-yl)carbamate is Cn1c(NC(=O)Oc2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)nc2cc(Cl)c(Cl)cc21.
What is the InChIKey of [1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl] N-(5,6-dichloro-1-methylbenzimidazol-2-yl)carbamate?
The InChIKey is YNISQODRBNICSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl3F3N5O2/c1-29-14-7-12(22)11(21)6-13(14)27-17(29)28-18(31)32-15-8-26-30(16(15)19(23,24)25)10-4-2-9(20)3-5-10/h2-8H,1H3,(H,27,28,31).
What are the key properties of [1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl] N-(5,6-dichloro-1-methylbenzimidazol-2-yl)carbamate?
[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl] N-(5,6-dichloro-1-methylbenzimidazol-2-yl)carbamate has a molecular weight of 504.68 g/mol, XLogP of 6.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl] N-(5,6-dichloro-1-methylbenzimidazol-2-yl)carbamate is sourced from PubChem (CID 87445596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).