5-(6-methoxy-1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)-1H-pyrazol-4-ol

C18H16N4O3 — CID 135857315

IUPAC5-(6-methoxy-1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)-1H-pyrazol-4-ol
SMILESCOc1ccc(-c2n[nH]c(-c3nc4ccc(OC)cc4[nH]3)c2O)cc1
InChIInChI=1S/C18H16N4O3/c1-24-11-5-3-10(4-6-11)15-17(23)16(22-21-15)18-19-13-8-7-12(25-2)9-14(13)20-18/h3-9,23H,1-2H3,(H,19,20)(H,21,22)
InChIKeyHNGPPNAMTJBWNR-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.34
Rot. Bonds4

About 5-(6-methoxy-1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)-1H-pyrazol-4-ol

5-(6-methoxy-1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)-1H-pyrazol-4-ol (PubChem CID 135857315) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 5-(6-methoxy-1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)-1H-pyrazol-4-ol.

Molecular Properties

Compound Name5-(6-methoxy-1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)-1H-pyrazol-4-ol
PubChem CID135857315
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name5-(6-methoxy-1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)-1H-pyrazol-4-ol
SMILESCOc1ccc(-c2n[nH]c(-c3nc4ccc(OC)cc4[nH]3)c2O)cc1
InChIInChI=1S/C18H16N4O3/c1-24-11-5-3-10(4-6-11)15-17(23)16(22-21-15)18-19-13-8-7-12(25-2)9-14(13)20-18/h3-9,23H,1-2H3,(H,19,20)(H,21,22)
InChIKeyHNGPPNAMTJBWNR-UHFFFAOYSA-N
XLogP3.34
TPSA96.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxy-1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)-1H-pyrazol-4-ol?
The IUPAC name of 5-(6-methoxy-1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)-1H-pyrazol-4-ol (CID 135857315) is 5-(6-methoxy-1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)-1H-pyrazol-4-ol.
What is the SMILES notation for 5-(6-methoxy-1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)-1H-pyrazol-4-ol?
The canonical SMILES for 5-(6-methoxy-1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)-1H-pyrazol-4-ol is COc1ccc(-c2n[nH]c(-c3nc4ccc(OC)cc4[nH]3)c2O)cc1.
What is the InChIKey of 5-(6-methoxy-1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)-1H-pyrazol-4-ol?
The InChIKey is HNGPPNAMTJBWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-24-11-5-3-10(4-6-11)15-17(23)16(22-21-15)18-19-13-8-7-12(25-2)9-14(13)20-18/h3-9,23H,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 5-(6-methoxy-1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)-1H-pyrazol-4-ol?
5-(6-methoxy-1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)-1H-pyrazol-4-ol has a molecular weight of 336.35 g/mol, XLogP of 3.34, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxy-1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)-1H-pyrazol-4-ol is sourced from PubChem (CID 135857315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).