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

C26H31N3O5 — CID 55792396

IUPAC4-cyclopentyloxy-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxybenzamide
SMILESCOc1cc(OC)cc(C(NC(=O)c2ccc(OC3CCCC3)c(OC)c2)c2nccn2C)c1
InChIInChI=1S/C26H31N3O5/c1-29-12-11-27-25(29)24(18-13-20(31-2)16-21(14-18)32-3)28-26(30)17-9-10-22(23(15-17)33-4)34-19-7-5-6-8-19/h9-16,19,24H,5-8H2,1-4H3,(H,28,30)
InChIKeyGWYHATGSIRFRQS-UHFFFAOYSA-N
MW465.55 g/mol
LogP4.29
Rot. Bonds9

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

4-cyclopentyloxy-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxybenzamide (PubChem CID 55792396) has the molecular formula C26H31N3O5 and a molecular weight of 465.55 g/mol. Its IUPAC name is 4-cyclopentyloxy-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-cyclopentyloxy-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxybenzamide
PubChem CID55792396
Molecular FormulaC26H31N3O5
Molecular Weight465.55 g/mol
Exact Mass465.23
IUPAC Name4-cyclopentyloxy-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxybenzamide
SMILESCOc1cc(OC)cc(C(NC(=O)c2ccc(OC3CCCC3)c(OC)c2)c2nccn2C)c1
InChIInChI=1S/C26H31N3O5/c1-29-12-11-27-25(29)24(18-13-20(31-2)16-21(14-18)32-3)28-26(30)17-9-10-22(23(15-17)33-4)34-19-7-5-6-8-19/h9-16,19,24H,5-8H2,1-4H3,(H,28,30)
InChIKeyGWYHATGSIRFRQS-UHFFFAOYSA-N
XLogP4.29
TPSA83.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-ethoxy-4-methoxybenzamide
CID 18284054
3,4-dimethoxy-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46528524
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
3-methoxy-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55772809
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(3-methylpiperidin-1-yl)-3-nitrobenzamide
CID 24625712
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethoxybenzamide
CID 46631561
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthiophene-2-carboxamide
CID 51273479
2-bromo-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 55457676
1-[1-(2,5-dimethoxyphenyl)ethyl]-3-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 55590274

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxybenzamide?
The IUPAC name of 4-cyclopentyloxy-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxybenzamide (CID 55792396) is 4-cyclopentyloxy-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxybenzamide.
What is the SMILES notation for 4-cyclopentyloxy-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxybenzamide?
The canonical SMILES for 4-cyclopentyloxy-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxybenzamide is COc1cc(OC)cc(C(NC(=O)c2ccc(OC3CCCC3)c(OC)c2)c2nccn2C)c1.
What is the InChIKey of 4-cyclopentyloxy-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxybenzamide?
The InChIKey is GWYHATGSIRFRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O5/c1-29-12-11-27-25(29)24(18-13-20(31-2)16-21(14-18)32-3)28-26(30)17-9-10-22(23(15-17)33-4)34-19-7-5-6-8-19/h9-16,19,24H,5-8H2,1-4H3,(H,28,30).
What are the key properties of 4-cyclopentyloxy-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxybenzamide?
4-cyclopentyloxy-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxybenzamide has a molecular weight of 465.55 g/mol, XLogP of 4.29, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxybenzamide is sourced from PubChem (CID 55792396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).