methyl 1-benzyl-2-(2-hydroxyphenyl)benzimidazole-4-carboxylate

C22H18N2O3 — CID 137226328

IUPACmethyl 1-benzyl-2-(2-hydroxyphenyl)benzimidazole-4-carboxylate
SMILESCOC(=O)c1cccc2c1nc(-c1ccccc1O)n2Cc1ccccc1
InChIInChI=1S/C22H18N2O3/c1-27-22(26)17-11-7-12-18-20(17)23-21(16-10-5-6-13-19(16)25)24(18)14-15-8-3-2-4-9-15/h2-13,25H,14H2,1H3
InChIKeyVXAAZWKLKOSCOA-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.24
Rot. Bonds4

About methyl 1-benzyl-2-(2-hydroxyphenyl)benzimidazole-4-carboxylate

methyl 1-benzyl-2-(2-hydroxyphenyl)benzimidazole-4-carboxylate (PubChem CID 137226328) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is methyl 1-benzyl-2-(2-hydroxyphenyl)benzimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-benzyl-2-(2-hydroxyphenyl)benzimidazole-4-carboxylate
PubChem CID137226328
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Namemethyl 1-benzyl-2-(2-hydroxyphenyl)benzimidazole-4-carboxylate
SMILESCOC(=O)c1cccc2c1nc(-c1ccccc1O)n2Cc1ccccc1
InChIInChI=1S/C22H18N2O3/c1-27-22(26)17-11-7-12-18-20(17)23-21(16-10-5-6-13-19(16)25)24(18)14-15-8-3-2-4-9-15/h2-13,25H,14H2,1H3
InChIKeyVXAAZWKLKOSCOA-UHFFFAOYSA-N
XLogP4.24
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-benzyl-2-(2-hydroxyphenyl)benzimidazole-4-carboxylate?
The IUPAC name of methyl 1-benzyl-2-(2-hydroxyphenyl)benzimidazole-4-carboxylate (CID 137226328) is methyl 1-benzyl-2-(2-hydroxyphenyl)benzimidazole-4-carboxylate.
What is the SMILES notation for methyl 1-benzyl-2-(2-hydroxyphenyl)benzimidazole-4-carboxylate?
The canonical SMILES for methyl 1-benzyl-2-(2-hydroxyphenyl)benzimidazole-4-carboxylate is COC(=O)c1cccc2c1nc(-c1ccccc1O)n2Cc1ccccc1.
What is the InChIKey of methyl 1-benzyl-2-(2-hydroxyphenyl)benzimidazole-4-carboxylate?
The InChIKey is VXAAZWKLKOSCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-27-22(26)17-11-7-12-18-20(17)23-21(16-10-5-6-13-19(16)25)24(18)14-15-8-3-2-4-9-15/h2-13,25H,14H2,1H3.
What are the key properties of methyl 1-benzyl-2-(2-hydroxyphenyl)benzimidazole-4-carboxylate?
methyl 1-benzyl-2-(2-hydroxyphenyl)benzimidazole-4-carboxylate has a molecular weight of 358.40 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-benzyl-2-(2-hydroxyphenyl)benzimidazole-4-carboxylate is sourced from PubChem (CID 137226328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).