N-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethoxy-4-methoxybenzamide

C22H25N3O3 — CID 134027438

IUPACN-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethoxy-4-methoxybenzamide
SMILESCCOc1cc(C(=O)NCCc2nccn2Cc2ccccc2)ccc1OC
InChIInChI=1S/C22H25N3O3/c1-3-28-20-15-18(9-10-19(20)27-2)22(26)24-12-11-21-23-13-14-25(21)16-17-7-5-4-6-8-17/h4-10,13-15H,3,11-12,16H2,1-2H3,(H,24,26)
InChIKeyHJDYBISVFMGZEI-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.31
Rot. Bonds9

About N-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethoxy-4-methoxybenzamide

N-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethoxy-4-methoxybenzamide (PubChem CID 134027438) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethoxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethoxy-4-methoxybenzamide
PubChem CID134027438
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethoxy-4-methoxybenzamide
SMILESCCOc1cc(C(=O)NCCc2nccn2Cc2ccccc2)ccc1OC
InChIInChI=1S/C22H25N3O3/c1-3-28-20-15-18(9-10-19(20)27-2)22(26)24-12-11-21-23-13-14-25(21)16-17-7-5-4-6-8-17/h4-10,13-15H,3,11-12,16H2,1-2H3,(H,24,26)
InChIKeyHJDYBISVFMGZEI-UHFFFAOYSA-N
XLogP3.31
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 43059032
N-[2-(1-benzylimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 134039597
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-phenoxybenzamide
CID 25358093
N-[2-(1-benzylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 134039749
N-[2-(1-benzylimidazol-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 134027547
3-ethoxy-4-methoxy-N-[3-(2-phenylethoxy)propyl]benzamide
CID 55863487
3-ethoxy-N-[2-(3-fluorophenyl)ethyl]-4-methoxybenzamide
CID 18118772
N-[2-(1-benzylimidazol-2-yl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 134039942
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-hydroxy-5-methylbenzamide
CID 134027428
N-[2-(1-benzylimidazol-2-yl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 134027595
N-[2-(1-benzylimidazol-2-yl)ethyl]furan-2-carboxamide
CID 134039640
3,4-diethoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31115214

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethoxy-4-methoxybenzamide?
The IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethoxy-4-methoxybenzamide (CID 134027438) is N-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethoxy-4-methoxybenzamide.
What is the SMILES notation for N-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethoxy-4-methoxybenzamide?
The canonical SMILES for N-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethoxy-4-methoxybenzamide is CCOc1cc(C(=O)NCCc2nccn2Cc2ccccc2)ccc1OC.
What is the InChIKey of N-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethoxy-4-methoxybenzamide?
The InChIKey is HJDYBISVFMGZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-3-28-20-15-18(9-10-19(20)27-2)22(26)24-12-11-21-23-13-14-25(21)16-17-7-5-4-6-8-17/h4-10,13-15H,3,11-12,16H2,1-2H3,(H,24,26).
What are the key properties of N-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethoxy-4-methoxybenzamide?
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethoxy-4-methoxybenzamide has a molecular weight of 379.46 g/mol, XLogP of 3.31, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethoxy-4-methoxybenzamide is sourced from PubChem (CID 134027438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).