6-ethoxy-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole

C20H20N4O2 — CID 135988746

IUPAC6-ethoxy-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole
SMILESCCOc1ccc2nc(-c3c(OC)c(-c4ccccc4)nn3C)[nH]c2c1
InChIInChI=1S/C20H20N4O2/c1-4-26-14-10-11-15-16(12-14)22-20(21-15)18-19(25-3)17(23-24(18)2)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3,(H,21,22)
InChIKeyJGBKHQVJFKRZSN-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.04
Rot. Bonds5

About 6-ethoxy-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole

6-ethoxy-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole (PubChem CID 135988746) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 6-ethoxy-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole.

Molecular Properties

Compound Name6-ethoxy-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole
PubChem CID135988746
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name6-ethoxy-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole
SMILESCCOc1ccc2nc(-c3c(OC)c(-c4ccccc4)nn3C)[nH]c2c1
InChIInChI=1S/C20H20N4O2/c1-4-26-14-10-11-15-16(12-14)22-20(21-15)18-19(25-3)17(23-24(18)2)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3,(H,21,22)
InChIKeyJGBKHQVJFKRZSN-UHFFFAOYSA-N
XLogP4.04
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-N,N-dimethyl-3H-benzimidazole-5-carboxamide;methane;2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-N,N-dimethyl-3H-benzimidazole-5-carboxamide
CID 158194954
[2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazol-5-yl] formate
CID 135988871
bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-bis[bis(phosphanyl)phosphanyl]phosphanylphosphane;5-(6-isocyano-1H-benzimidazol-2-yl)-1-methyl-3-(4-phenylphenyl)pyrazol-4-ol;6-isocyano-2-[4-methoxy-2-methyl-5-(4-phenylphenyl)pyrazol-3-yl]-1H-benzimidazole;methane
CID 158430213
2-(3-ethoxyphenyl)-1H-benzimidazole
CID 19224120
6-ethoxy-2-pyridin-4-yl-1H-benzimidazole
CID 12855474
2-[(2-phenyl-3H-benzimidazol-5-yl)oxy]ethanol
CID 84816371
6-methoxy-2-[2-[5-(1-methylimidazol-2-yl)-4-phenylimidazol-1-yl]ethyl]-1H-benzimidazole
CID 50970751
2-(3-butoxyphenyl)-6-methoxy-1H-benzimidazole
CID 110538781
5-(6-isocyano-1H-benzimidazol-2-yl)-1-methyl-3-(4-phenylphenyl)pyrazol-4-ol
CID 135988793
4-chloro-6-ethoxy-3-methyl-2-phenylquinoline
CID 104845970
6-methoxy-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole
CID 136929757
2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-N,N-dimethyl-3H-benzimidazole-5-carboxamide
CID 135988800

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole?
The IUPAC name of 6-ethoxy-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole (CID 135988746) is 6-ethoxy-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole.
What is the SMILES notation for 6-ethoxy-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole?
The canonical SMILES for 6-ethoxy-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole is CCOc1ccc2nc(-c3c(OC)c(-c4ccccc4)nn3C)[nH]c2c1.
What is the InChIKey of 6-ethoxy-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole?
The InChIKey is JGBKHQVJFKRZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-4-26-14-10-11-15-16(12-14)22-20(21-15)18-19(25-3)17(23-24(18)2)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3,(H,21,22).
What are the key properties of 6-ethoxy-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole?
6-ethoxy-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole has a molecular weight of 348.41 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole is sourced from PubChem (CID 135988746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).