methyl 2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-3H-benzimidazole-5-carboxylate

C24H22N2O4 — CID 91902866

IUPACmethyl 2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-3H-benzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(OCc4ccccc4C)c(OC)c3)[nH]c2c1
InChIInChI=1S/C24H22N2O4/c1-15-6-4-5-7-18(15)14-30-21-11-9-16(13-22(21)28-2)23-25-19-10-8-17(24(27)29-3)12-20(19)26-23/h4-13H,14H2,1-3H3,(H,25,26)
InChIKeyKZXWCNRSLIPXEQ-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.91
Rot. Bonds6

About methyl 2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-3H-benzimidazole-5-carboxylate

methyl 2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-3H-benzimidazole-5-carboxylate (PubChem CID 91902866) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is methyl 2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-3H-benzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-3H-benzimidazole-5-carboxylate
PubChem CID91902866
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Namemethyl 2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-3H-benzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(OCc4ccccc4C)c(OC)c3)[nH]c2c1
InChIInChI=1S/C24H22N2O4/c1-15-6-4-5-7-18(15)14-30-21-11-9-16(13-22(21)28-2)23-25-19-10-8-17(24(27)29-3)12-20(19)26-23/h4-13H,14H2,1-3H3,(H,25,26)
InChIKeyKZXWCNRSLIPXEQ-UHFFFAOYSA-N
XLogP4.91
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1H-benzimidazole
CID 19224116
methyl 2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-3H-benzimidazole-5-carboxylate
CID 91902865
dimethyl 4-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232537
2-[3-methoxy-4-[(2,4,5-trimethylphenyl)methoxy]phenyl]-6-methyl-1H-benzimidazole
CID 19224663
2-(3,4-dimethoxyphenyl)-3H-benzimidazole-5-carbohydrazide
CID 91902915
methyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 1229665
2-(3-methoxy-4-phenylmethoxyphenyl)-5,6-dimethyl-1H-benzimidazole
CID 110535216
2-(4-butoxy-3-methoxyphenyl)-3H-benzimidazole-5-carbohydrazide
CID 91902943
methyl 2-(3,4-dihydroxyphenyl)-3H-benzimidazole-5-carboxylate
CID 136663209
2-[4-methoxy-3-(methoxymethyl)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 46984084
methyl 2-(4-aminophenyl)-3H-benzimidazole-5-carboxylate
CID 4915421
methyl 2-(4-chlorophenyl)-3H-benzimidazole-5-carboxylate
CID 3008656

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-3H-benzimidazole-5-carboxylate?
The IUPAC name of methyl 2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-3H-benzimidazole-5-carboxylate (CID 91902866) is methyl 2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-3H-benzimidazole-5-carboxylate.
What is the SMILES notation for methyl 2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-3H-benzimidazole-5-carboxylate?
The canonical SMILES for methyl 2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-3H-benzimidazole-5-carboxylate is COC(=O)c1ccc2nc(-c3ccc(OCc4ccccc4C)c(OC)c3)[nH]c2c1.
What is the InChIKey of methyl 2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-3H-benzimidazole-5-carboxylate?
The InChIKey is KZXWCNRSLIPXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-15-6-4-5-7-18(15)14-30-21-11-9-16(13-22(21)28-2)23-25-19-10-8-17(24(27)29-3)12-20(19)26-23/h4-13H,14H2,1-3H3,(H,25,26).
What are the key properties of methyl 2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-3H-benzimidazole-5-carboxylate?
methyl 2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-3H-benzimidazole-5-carboxylate has a molecular weight of 402.45 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-3H-benzimidazole-5-carboxylate is sourced from PubChem (CID 91902866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).