[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl] 3,5-bis(trifluoromethyl)benzoate

C19H10F6N4O2 — CID 135750695

IUPAC[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl] 3,5-bis(trifluoromethyl)benzoate
SMILESO=C(Oc1cc(-c2nc3ccccc3[nH]2)[nH]n1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C19H10F6N4O2/c20-18(21,22)10-5-9(6-11(7-10)19(23,24)25)17(30)31-15-8-14(28-29-15)16-26-12-3-1-2-4-13(12)27-16/h1-8H,(H,26,27)(H,28,29)
InChIKeyAQKXIUZESJLAPK-UHFFFAOYSA-N
MW440.30 g/mol
LogP5.21
Rot. Bonds3

About [5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl] 3,5-bis(trifluoromethyl)benzoate

[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl] 3,5-bis(trifluoromethyl)benzoate (PubChem CID 135750695) has the molecular formula C19H10F6N4O2 and a molecular weight of 440.30 g/mol. Its IUPAC name is [5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl] 3,5-bis(trifluoromethyl)benzoate.

Molecular Properties

Compound Name[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl] 3,5-bis(trifluoromethyl)benzoate
PubChem CID135750695
Molecular FormulaC19H10F6N4O2
Molecular Weight440.30 g/mol
Exact Mass440.07
IUPAC Name[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl] 3,5-bis(trifluoromethyl)benzoate
SMILESO=C(Oc1cc(-c2nc3ccccc3[nH]2)[nH]n1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C19H10F6N4O2/c20-18(21,22)10-5-9(6-11(7-10)19(23,24)25)17(30)31-15-8-14(28-29-15)16-26-12-3-1-2-4-13(12)27-16/h1-8H,(H,26,27)(H,28,29)
InChIKeyAQKXIUZESJLAPK-UHFFFAOYSA-N
XLogP5.21
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.30
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl] 4-phenylbenzoate
CID 135750698
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3,5-bis(trifluoromethyl)benzamide
CID 89391347
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 4124334
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]acetamide
CID 155161491
1-(1H-benzimidazol-2-yl)-3-[3,5-bis(trifluoromethyl)phenyl]urea
CID 166873254
[(Z)-3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 3-(trifluoromethyl)benzoate
CID 135719865
2-[3-[(3-bromophenyl)methoxy]-1H-pyrazol-5-yl]-1H-benzimidazole
CID 135804605
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
CID 71299224
2-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 168555718
2-[4-[3-(trifluoromethyl)phenoxy]phenyl]-1H-benzimidazole
CID 68842284
tert-butyl N-[4-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]carbamate
CID 135491912
bis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole);terephthalic acid;tetrahydrate
CID 139060997

Frequently Asked Questions

What is the IUPAC name of [5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl] 3,5-bis(trifluoromethyl)benzoate?
The IUPAC name of [5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl] 3,5-bis(trifluoromethyl)benzoate (CID 135750695) is [5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl] 3,5-bis(trifluoromethyl)benzoate.
What is the SMILES notation for [5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl] 3,5-bis(trifluoromethyl)benzoate?
The canonical SMILES for [5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl] 3,5-bis(trifluoromethyl)benzoate is O=C(Oc1cc(-c2nc3ccccc3[nH]2)[nH]n1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of [5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl] 3,5-bis(trifluoromethyl)benzoate?
The InChIKey is AQKXIUZESJLAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F6N4O2/c20-18(21,22)10-5-9(6-11(7-10)19(23,24)25)17(30)31-15-8-14(28-29-15)16-26-12-3-1-2-4-13(12)27-16/h1-8H,(H,26,27)(H,28,29).
What are the key properties of [5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl] 3,5-bis(trifluoromethyl)benzoate?
[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl] 3,5-bis(trifluoromethyl)benzoate has a molecular weight of 440.30 g/mol, XLogP of 5.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl] 3,5-bis(trifluoromethyl)benzoate is sourced from PubChem (CID 135750695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).