N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-ethoxy-4-methoxybenzamide

C23H27N3O5 — CID 18284054

IUPACN-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-ethoxy-4-methoxybenzamide
SMILESCCOc1cc(C(=O)NC(c2cc(OC)cc(OC)c2)c2nccn2C)ccc1OC
InChIInChI=1S/C23H27N3O5/c1-6-31-20-13-15(7-8-19(20)30-5)23(27)25-21(22-24-9-10-26(22)2)16-11-17(28-3)14-18(12-16)29-4/h7-14,21H,6H2,1-5H3,(H,25,27)
InChIKeyPXZCZWUQJDSYTK-UHFFFAOYSA-N
MW425.49 g/mol
LogP3.36
Rot. Bonds9

About N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-ethoxy-4-methoxybenzamide

N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-ethoxy-4-methoxybenzamide (PubChem CID 18284054) has the molecular formula C23H27N3O5 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-ethoxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-ethoxy-4-methoxybenzamide
PubChem CID18284054
Molecular FormulaC23H27N3O5
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC NameN-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-ethoxy-4-methoxybenzamide
SMILESCCOc1cc(C(=O)NC(c2cc(OC)cc(OC)c2)c2nccn2C)ccc1OC
InChIInChI=1S/C23H27N3O5/c1-6-31-20-13-15(7-8-19(20)30-5)23(27)25-21(22-24-9-10-26(22)2)16-11-17(28-3)14-18(12-16)29-4/h7-14,21H,6H2,1-5H3,(H,25,27)
InChIKeyPXZCZWUQJDSYTK-UHFFFAOYSA-N
XLogP3.36
TPSA83.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,4-dimethoxy-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46528524
4-cyclopentyloxy-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxybenzamide
CID 55792396
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-diethoxybenzamide
CID 27034467
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylbenzamide
CID 18151112
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-fluorobenzamide
CID 51273493
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 51273477
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenoxybenzamide
CID 55457244
2-(4-cyano-2-ethoxyphenoxy)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 42924253
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-ethoxy-4-propoxybenzamide
CID 27034768
3-methoxy-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55772809
1-[1-(2,5-dimethoxyphenyl)ethyl]-3-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 55590274
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethoxybenzamide
CID 46631561

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-ethoxy-4-methoxybenzamide?
The IUPAC name of N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-ethoxy-4-methoxybenzamide (CID 18284054) is N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-ethoxy-4-methoxybenzamide.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-ethoxy-4-methoxybenzamide?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-ethoxy-4-methoxybenzamide is CCOc1cc(C(=O)NC(c2cc(OC)cc(OC)c2)c2nccn2C)ccc1OC.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-ethoxy-4-methoxybenzamide?
The InChIKey is PXZCZWUQJDSYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5/c1-6-31-20-13-15(7-8-19(20)30-5)23(27)25-21(22-24-9-10-26(22)2)16-11-17(28-3)14-18(12-16)29-4/h7-14,21H,6H2,1-5H3,(H,25,27).
What are the key properties of N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-ethoxy-4-methoxybenzamide?
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-ethoxy-4-methoxybenzamide has a molecular weight of 425.49 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-ethoxy-4-methoxybenzamide is sourced from PubChem (CID 18284054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).