5-(methoxymethyl)-1-(3-pyrazol-1-ylphenyl)benzimidazole

C18H16N4O — CID 11220437

IUPAC5-(methoxymethyl)-1-(3-pyrazol-1-ylphenyl)benzimidazole
SMILESCOCc1ccc2c(c1)ncn2-c1cccc(-n2cccn2)c1
InChIInChI=1S/C18H16N4O/c1-23-12-14-6-7-18-17(10-14)19-13-21(18)15-4-2-5-16(11-15)22-9-3-8-20-22/h2-11,13H,12H2,1H3
InChIKeyAOBJUKOJGJNSEV-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.36
Rot. Bonds4

About 5-(methoxymethyl)-1-(3-pyrazol-1-ylphenyl)benzimidazole

5-(methoxymethyl)-1-(3-pyrazol-1-ylphenyl)benzimidazole (PubChem CID 11220437) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 5-(methoxymethyl)-1-(3-pyrazol-1-ylphenyl)benzimidazole.

Molecular Properties

Compound Name5-(methoxymethyl)-1-(3-pyrazol-1-ylphenyl)benzimidazole
PubChem CID11220437
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name5-(methoxymethyl)-1-(3-pyrazol-1-ylphenyl)benzimidazole
SMILESCOCc1ccc2c(c1)ncn2-c1cccc(-n2cccn2)c1
InChIInChI=1S/C18H16N4O/c1-23-12-14-6-7-18-17(10-14)19-13-21(18)15-4-2-5-16(11-15)22-9-3-8-20-22/h2-11,13H,12H2,1H3
InChIKeyAOBJUKOJGJNSEV-UHFFFAOYSA-N
XLogP3.36
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-1-(3-pyrazol-1-ylphenyl)benzimidazole?
The IUPAC name of 5-(methoxymethyl)-1-(3-pyrazol-1-ylphenyl)benzimidazole (CID 11220437) is 5-(methoxymethyl)-1-(3-pyrazol-1-ylphenyl)benzimidazole.
What is the SMILES notation for 5-(methoxymethyl)-1-(3-pyrazol-1-ylphenyl)benzimidazole?
The canonical SMILES for 5-(methoxymethyl)-1-(3-pyrazol-1-ylphenyl)benzimidazole is COCc1ccc2c(c1)ncn2-c1cccc(-n2cccn2)c1.
What is the InChIKey of 5-(methoxymethyl)-1-(3-pyrazol-1-ylphenyl)benzimidazole?
The InChIKey is AOBJUKOJGJNSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-23-12-14-6-7-18-17(10-14)19-13-21(18)15-4-2-5-16(11-15)22-9-3-8-20-22/h2-11,13H,12H2,1H3.
What are the key properties of 5-(methoxymethyl)-1-(3-pyrazol-1-ylphenyl)benzimidazole?
5-(methoxymethyl)-1-(3-pyrazol-1-ylphenyl)benzimidazole has a molecular weight of 304.35 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-1-(3-pyrazol-1-ylphenyl)benzimidazole is sourced from PubChem (CID 11220437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).