methyl 2-[4-[(2-butylimidazol-1-yl)methyl]-2-methoxyphenyl]benzoate

C23H26N2O3 — CID 19841101

IUPACmethyl 2-[4-[(2-butylimidazol-1-yl)methyl]-2-methoxyphenyl]benzoate
SMILESCCCCc1nccn1Cc1ccc(-c2ccccc2C(=O)OC)c(OC)c1
InChIInChI=1S/C23H26N2O3/c1-4-5-10-22-24-13-14-25(22)16-17-11-12-19(21(15-17)27-2)18-8-6-7-9-20(18)23(26)28-3/h6-9,11-15H,4-5,10,16H2,1-3H3
InChIKeyOPLOKQQRSAWSOD-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.74
Rot. Bonds8

About methyl 2-[4-[(2-butylimidazol-1-yl)methyl]-2-methoxyphenyl]benzoate

methyl 2-[4-[(2-butylimidazol-1-yl)methyl]-2-methoxyphenyl]benzoate (PubChem CID 19841101) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is methyl 2-[4-[(2-butylimidazol-1-yl)methyl]-2-methoxyphenyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[4-[(2-butylimidazol-1-yl)methyl]-2-methoxyphenyl]benzoate
PubChem CID19841101
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Namemethyl 2-[4-[(2-butylimidazol-1-yl)methyl]-2-methoxyphenyl]benzoate
SMILESCCCCc1nccn1Cc1ccc(-c2ccccc2C(=O)OC)c(OC)c1
InChIInChI=1S/C23H26N2O3/c1-4-5-10-22-24-13-14-25(22)16-17-11-12-19(21(15-17)27-2)18-8-6-7-9-20(18)23(26)28-3/h6-9,11-15H,4-5,10,16H2,1-3H3
InChIKeyOPLOKQQRSAWSOD-UHFFFAOYSA-N
XLogP4.74
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[3-bromo-5-[(2-butylimidazol-1-yl)methyl]-1H-indol-2-yl]benzoate
CID 67941294
methyl 2-(2,4-dimethoxyphenyl)benzoate
CID 14078327
methyl 2-[[2-[(4-fluorophenyl)methyl]imidazol-1-yl]methyl]benzoate
CID 82560948
N-[2-(1-benzylimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 134039597
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethoxy-4-methoxybenzamide
CID 134027438
1-benzyl-2-octylimidazole
CID 70491727
methyl 4-[[2-(ethylaminomethyl)imidazol-1-yl]methyl]benzoate
CID 62223550
tert-butyl 2-[4-[[2-[[2-butyl-6-(cyclopropanecarbonylamino)phenyl]methyl]imidazol-1-yl]methyl]phenyl]benzoate
CID 142629701
methyl 2-[[2-(pyridin-3-ylmethyl)imidazol-1-yl]methyl]benzoate
CID 82560938
methyl 2-[[2-(2-morpholin-4-ylethyl)imidazol-1-yl]methyl]benzoate
CID 82561053
methyl 2-[(1-ethylimidazol-2-yl)methyl-methylamino]benzoate
CID 62738094
methyl 3-bromo-4-[(2-propylimidazol-1-yl)methyl]benzoate
CID 102766227

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(2-butylimidazol-1-yl)methyl]-2-methoxyphenyl]benzoate?
The IUPAC name of methyl 2-[4-[(2-butylimidazol-1-yl)methyl]-2-methoxyphenyl]benzoate (CID 19841101) is methyl 2-[4-[(2-butylimidazol-1-yl)methyl]-2-methoxyphenyl]benzoate.
What is the SMILES notation for methyl 2-[4-[(2-butylimidazol-1-yl)methyl]-2-methoxyphenyl]benzoate?
The canonical SMILES for methyl 2-[4-[(2-butylimidazol-1-yl)methyl]-2-methoxyphenyl]benzoate is CCCCc1nccn1Cc1ccc(-c2ccccc2C(=O)OC)c(OC)c1.
What is the InChIKey of methyl 2-[4-[(2-butylimidazol-1-yl)methyl]-2-methoxyphenyl]benzoate?
The InChIKey is OPLOKQQRSAWSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-4-5-10-22-24-13-14-25(22)16-17-11-12-19(21(15-17)27-2)18-8-6-7-9-20(18)23(26)28-3/h6-9,11-15H,4-5,10,16H2,1-3H3.
What are the key properties of methyl 2-[4-[(2-butylimidazol-1-yl)methyl]-2-methoxyphenyl]benzoate?
methyl 2-[4-[(2-butylimidazol-1-yl)methyl]-2-methoxyphenyl]benzoate has a molecular weight of 378.47 g/mol, XLogP of 4.74, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(2-butylimidazol-1-yl)methyl]-2-methoxyphenyl]benzoate is sourced from PubChem (CID 19841101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).