methyl 2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxylate

C20H18N4O3 — CID 135857314

IUPACmethyl 2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3c(OC)c(-c4ccccc4)nn3C)[nH]c2c1
InChIInChI=1S/C20H18N4O3/c1-24-17(18(26-2)16(23-24)12-7-5-4-6-8-12)19-21-14-10-9-13(20(25)27-3)11-15(14)22-19/h4-11H,1-3H3,(H,21,22)
InChIKeyIQWYCSXILWKCGU-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.43
Rot. Bonds4

About methyl 2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxylate

methyl 2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxylate (PubChem CID 135857314) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is methyl 2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxylate
PubChem CID135857314
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Namemethyl 2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3c(OC)c(-c4ccccc4)nn3C)[nH]c2c1
InChIInChI=1S/C20H18N4O3/c1-24-17(18(26-2)16(23-24)12-7-5-4-6-8-12)19-21-14-10-9-13(20(25)27-3)11-15(14)22-19/h4-11H,1-3H3,(H,21,22)
InChIKeyIQWYCSXILWKCGU-UHFFFAOYSA-N
XLogP3.43
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxylate?
The IUPAC name of methyl 2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxylate (CID 135857314) is methyl 2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxylate.
What is the SMILES notation for methyl 2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxylate?
The canonical SMILES for methyl 2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxylate is COC(=O)c1ccc2nc(-c3c(OC)c(-c4ccccc4)nn3C)[nH]c2c1.
What is the InChIKey of methyl 2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxylate?
The InChIKey is IQWYCSXILWKCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-24-17(18(26-2)16(23-24)12-7-5-4-6-8-12)19-21-14-10-9-13(20(25)27-3)11-15(14)22-19/h4-11H,1-3H3,(H,21,22).
What are the key properties of methyl 2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxylate?
methyl 2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxylate has a molecular weight of 362.39 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxylate is sourced from PubChem (CID 135857314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).