2-ethoxy-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide

C20H21N3O3 — CID 47045513

IUPAC2-ethoxy-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc(OCc2nccn2C)cc1
InChIInChI=1S/C20H21N3O3/c1-3-25-18-7-5-4-6-17(18)20(24)22-15-8-10-16(11-9-15)26-14-19-21-12-13-23(19)2/h4-13H,3,14H2,1-2H3,(H,22,24)
InChIKeyKYBCSOYHSHYIKZ-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.65
Rot. Bonds7

About 2-ethoxy-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide

2-ethoxy-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide (PubChem CID 47045513) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-ethoxy-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide
PubChem CID47045513
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-ethoxy-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc(OCc2nccn2C)cc1
InChIInChI=1S/C20H21N3O3/c1-3-25-18-7-5-4-6-17(18)20(24)22-15-8-10-16(11-9-15)26-14-19-21-12-13-23(19)2/h4-13H,3,14H2,1-2H3,(H,22,24)
InChIKeyKYBCSOYHSHYIKZ-UHFFFAOYSA-N
XLogP3.65
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
2-ethoxy-N-(4-methoxyphenyl)benzamide
CID 5019237
2-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 836714
N-[4-(carbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55793990
methyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]benzoate
CID 47038275
2-ethoxy-N-[4-(2-methylpropoxy)phenyl]benzamide
CID 4940660
2-ethoxy-N-[4-(2-ethoxyethoxy)phenyl]benzamide
CID 17130609
N-[4-(methylcarbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55736611
N-(2-butoxyphenyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55906144
N-(4-ethoxyphenyl)-2-(2-phenoxyethoxy)benzamide
CID 4954273
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide
CID 55969040
4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]carbamoyl]phenoxy]benzamide
CID 56548654

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide?
The IUPAC name of 2-ethoxy-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide (CID 47045513) is 2-ethoxy-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide is CCOc1ccccc1C(=O)Nc1ccc(OCc2nccn2C)cc1.
What is the InChIKey of 2-ethoxy-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide?
The InChIKey is KYBCSOYHSHYIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-3-25-18-7-5-4-6-17(18)20(24)22-15-8-10-16(11-9-15)26-14-19-21-12-13-23(19)2/h4-13H,3,14H2,1-2H3,(H,22,24).
What are the key properties of 2-ethoxy-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide?
2-ethoxy-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide has a molecular weight of 351.41 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide is sourced from PubChem (CID 47045513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).