methyl 2-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methoxy]benzoate

C24H22N2O3 — CID 142221111

IUPACmethyl 2-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methoxy]benzoate
SMILESCOC(=O)c1ccccc1OCc1nc2ccccc2n1Cc1ccc(C)cc1
InChIInChI=1S/C24H22N2O3/c1-17-11-13-18(14-12-17)15-26-21-9-5-4-8-20(21)25-23(26)16-29-22-10-6-3-7-19(22)24(27)28-2/h3-14H,15-16H2,1-2H3
InChIKeyLGJFWLGSOZMQDU-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.76
Rot. Bonds6

About methyl 2-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methoxy]benzoate

methyl 2-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methoxy]benzoate (PubChem CID 142221111) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is methyl 2-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methoxy]benzoate.

Molecular Properties

Compound Namemethyl 2-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methoxy]benzoate
PubChem CID142221111
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Namemethyl 2-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methoxy]benzoate
SMILESCOC(=O)c1ccccc1OCc1nc2ccccc2n1Cc1ccc(C)cc1
InChIInChI=1S/C24H22N2O3/c1-17-11-13-18(14-12-17)15-26-21-9-5-4-8-20(21)25-23(26)16-29-22-10-6-3-7-19(22)24(27)28-2/h3-14H,15-16H2,1-2H3
InChIKeyLGJFWLGSOZMQDU-UHFFFAOYSA-N
XLogP4.76
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;methyl 2-[[1-[2-(3-chlorophenyl)ethyl]benzimidazol-2-yl]methoxy]benzoate
CID 142221191
2-[(2-methoxyphenoxy)methyl]-1-[(4-methoxyphenyl)methyl]benzimidazole
CID 16997463
2-[[5-methyl-1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methoxy]benzoic acid
CID 142221103
ethane;methyl 2-[[1-[(E)-4-chloro-3-(chloromethyl)but-3-enyl]benzimidazol-2-yl]methoxy]benzoate;prop-1-ene
CID 142221137
1-[(4-tert-butylphenyl)methyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997714
[4-[[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 78881203
1-[(3,4-dichlorophenyl)methyl]-2-[(2,5-dimethylphenoxy)methyl]benzimidazole
CID 18878159
1-benzyl-2-[(2-chlorophenoxy)methyl]benzimidazole
CID 16997302
methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
CID 14323673
1-[(4-tert-butylphenyl)methyl]-2-[(2-chlorophenoxy)methyl]benzimidazole
CID 16997320
1-[(2-methoxyphenyl)methyl]-2-[(4-methylphenoxy)methyl]benzimidazole
CID 16998195
1-[(4-methylphenyl)methyl]-2-propylbenzimidazole
CID 884778

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methoxy]benzoate?
The IUPAC name of methyl 2-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methoxy]benzoate (CID 142221111) is methyl 2-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methoxy]benzoate.
What is the SMILES notation for methyl 2-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methoxy]benzoate?
The canonical SMILES for methyl 2-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methoxy]benzoate is COC(=O)c1ccccc1OCc1nc2ccccc2n1Cc1ccc(C)cc1.
What is the InChIKey of methyl 2-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methoxy]benzoate?
The InChIKey is LGJFWLGSOZMQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-17-11-13-18(14-12-17)15-26-21-9-5-4-8-20(21)25-23(26)16-29-22-10-6-3-7-19(22)24(27)28-2/h3-14H,15-16H2,1-2H3.
What are the key properties of methyl 2-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methoxy]benzoate?
methyl 2-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methoxy]benzoate has a molecular weight of 386.45 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methoxy]benzoate is sourced from PubChem (CID 142221111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).