[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl] 4-phenylbenzoate

C23H16N4O2 — CID 135750698

IUPAC[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl] 4-phenylbenzoate
SMILESO=C(Oc1cc(-c2nc3ccccc3[nH]2)[nH]n1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H16N4O2/c28-23(17-12-10-16(11-13-17)15-6-2-1-3-7-15)29-21-14-20(26-27-21)22-24-18-8-4-5-9-19(18)25-22/h1-14H,(H,24,25)(H,26,27)
InChIKeyHVGOUMFZZAPPNS-UHFFFAOYSA-N
MW380.41 g/mol
LogP4.84
Rot. Bonds4

About [5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl] 4-phenylbenzoate

[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl] 4-phenylbenzoate (PubChem CID 135750698) has the molecular formula C23H16N4O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is [5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl] 4-phenylbenzoate.

Molecular Properties

Compound Name[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl] 4-phenylbenzoate
PubChem CID135750698
Molecular FormulaC23H16N4O2
Molecular Weight380.41 g/mol
Exact Mass380.13
IUPAC Name[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl] 4-phenylbenzoate
SMILESO=C(Oc1cc(-c2nc3ccccc3[nH]2)[nH]n1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H16N4O2/c28-23(17-12-10-16(11-13-17)15-6-2-1-3-7-15)29-21-14-20(26-27-21)22-24-18-8-4-5-9-19(18)25-22/h1-14H,(H,24,25)(H,26,27)
InChIKeyHVGOUMFZZAPPNS-UHFFFAOYSA-N
XLogP4.84
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl] 3,5-bis(trifluoromethyl)benzoate
CID 135750695
prop-2-enyl 4-(1H-benzimidazol-2-yl)benzoate
CID 91673657
benzene-1,4-dicarboxamide;2-phenyl-1H-benzimidazole
CID 67481934
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]acetamide
CID 155161491
4-(1H-benzimidazol-2-yl)benzamide
CID 56736972
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
propan-2-yl 4-[2-(1H-benzimidazol-2-yl)phenyl]benzoate
CID 168554029
4-(1H-benzimidazol-2-yl)benzoic acid;ethyl 4-formylbenzoate
CID 157076592
2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427
bis(2-phenyl-3H-benzimidazol-5-yl)methanone
CID 174583837
2-(4,6-diphenyl-2-pyridinyl)-1H-benzimidazole
CID 4268760
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] 4-phenylbenzoate?
The IUPAC name of [5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl] 4-phenylbenzoate (CID 135750698) is [5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl] 4-phenylbenzoate.
What is the SMILES notation for [5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl] 4-phenylbenzoate?
The canonical SMILES for [5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl] 4-phenylbenzoate is O=C(Oc1cc(-c2nc3ccccc3[nH]2)[nH]n1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of [5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl] 4-phenylbenzoate?
The InChIKey is HVGOUMFZZAPPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O2/c28-23(17-12-10-16(11-13-17)15-6-2-1-3-7-15)29-21-14-20(26-27-21)22-24-18-8-4-5-9-19(18)25-22/h1-14H,(H,24,25)(H,26,27).
What are the key properties of [5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl] 4-phenylbenzoate?
[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl] 4-phenylbenzoate has a molecular weight of 380.41 g/mol, XLogP of 4.84, 4 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] 4-phenylbenzoate is sourced from PubChem (CID 135750698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).