[5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl] N-(1H-benzimidazol-2-yl)carbamate

C18H10F6N6O2 — CID 87445732

IUPAC[5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl] N-(1H-benzimidazol-2-yl)carbamate
SMILESO=C(Nc1nc2ccccc2[nH]1)Oc1cnn(-c2ccc(C(F)(F)F)cn2)c1C(F)(F)F
InChIInChI=1S/C18H10F6N6O2/c19-17(20,21)9-5-6-13(25-7-9)30-14(18(22,23)24)12(8-26-30)32-16(31)29-15-27-10-3-1-2-4-11(10)28-15/h1-8H,(H2,27,28,29,31)
InChIKeySWUUZULSAMSGQG-UHFFFAOYSA-N
MW456.31 g/mol
LogP4.79
Rot. Bonds3

About [5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl] N-(1H-benzimidazol-2-yl)carbamate

[5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl] N-(1H-benzimidazol-2-yl)carbamate (PubChem CID 87445732) has the molecular formula C18H10F6N6O2 and a molecular weight of 456.31 g/mol. Its IUPAC name is [5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl] N-(1H-benzimidazol-2-yl)carbamate.

Molecular Properties

Compound Name[5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl] N-(1H-benzimidazol-2-yl)carbamate
PubChem CID87445732
Molecular FormulaC18H10F6N6O2
Molecular Weight456.31 g/mol
Exact Mass456.08
IUPAC Name[5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl] N-(1H-benzimidazol-2-yl)carbamate
SMILESO=C(Nc1nc2ccccc2[nH]1)Oc1cnn(-c2ccc(C(F)(F)F)cn2)c1C(F)(F)F
InChIInChI=1S/C18H10F6N6O2/c19-17(20,21)9-5-6-13(25-7-9)30-14(18(22,23)24)12(8-26-30)32-16(31)29-15-27-10-3-1-2-4-11(10)28-15/h1-8H,(H2,27,28,29,31)
InChIKeySWUUZULSAMSGQG-UHFFFAOYSA-N
XLogP4.79
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.31
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl] N-(1H-benzimidazol-2-yl)carbamate?
The IUPAC name of [5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl] N-(1H-benzimidazol-2-yl)carbamate (CID 87445732) is [5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl] N-(1H-benzimidazol-2-yl)carbamate.
What is the SMILES notation for [5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl] N-(1H-benzimidazol-2-yl)carbamate?
The canonical SMILES for [5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl] N-(1H-benzimidazol-2-yl)carbamate is O=C(Nc1nc2ccccc2[nH]1)Oc1cnn(-c2ccc(C(F)(F)F)cn2)c1C(F)(F)F.
What is the InChIKey of [5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl] N-(1H-benzimidazol-2-yl)carbamate?
The InChIKey is SWUUZULSAMSGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F6N6O2/c19-17(20,21)9-5-6-13(25-7-9)30-14(18(22,23)24)12(8-26-30)32-16(31)29-15-27-10-3-1-2-4-11(10)28-15/h1-8H,(H2,27,28,29,31).
What are the key properties of [5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl] N-(1H-benzimidazol-2-yl)carbamate?
[5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl] N-(1H-benzimidazol-2-yl)carbamate has a molecular weight of 456.31 g/mol, XLogP of 4.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl] N-(1H-benzimidazol-2-yl)carbamate is sourced from PubChem (CID 87445732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).