2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide

C22H20N4O3 — CID 55854248

IUPAC2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)Nc1ccc(OCc2nccn2C)cc1
InChIInChI=1S/C22H20N4O3/c1-15-18-5-3-4-6-19(18)22(28)26(15)13-21(27)24-16-7-9-17(10-8-16)29-14-20-23-11-12-25(20)2/h3-12H,1,13-14H2,2H3,(H,24,27)
InChIKeyUQABRNGOJQGFDG-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.06
Rot. Bonds6

About 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide

2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide (PubChem CID 55854248) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide
PubChem CID55854248
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)Nc1ccc(OCc2nccn2C)cc1
InChIInChI=1S/C22H20N4O3/c1-15-18-5-3-4-6-19(18)22(28)26(15)13-21(27)24-16-7-9-17(10-8-16)29-14-20-23-11-12-25(20)2/h3-12H,1,13-14H2,2H3,(H,24,27)
InChIKeyUQABRNGOJQGFDG-UHFFFAOYSA-N
XLogP3.06
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-phenylmethoxyphenyl)acetamide
CID 17492143
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide
CID 60521657
N-[4-(difluoromethoxy)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 16592169
2-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-phenylphenyl)acetamide
CID 17419674
2-(2-ethylbenzimidazol-1-yl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide
CID 55855526
N-[4-(ethylsulfonylamino)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 55960851
2-(cyclopropylmethylamino)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide
CID 119858982
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55791150
N-ethyl-4-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]benzamide
CID 55802247
2-(4-butylphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide
CID 55767360
3-[[benzyl(methyl)carbamoyl]amino]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]propanamide
CID 56513837
2-ethoxy-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide
CID 47045513

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide?
The IUPAC name of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide (CID 55854248) is 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide.
What is the SMILES notation for 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide?
The canonical SMILES for 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide is C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccc(OCc2nccn2C)cc1.
What is the InChIKey of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide?
The InChIKey is UQABRNGOJQGFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-15-18-5-3-4-6-19(18)22(28)26(15)13-21(27)24-16-7-9-17(10-8-16)29-14-20-23-11-12-25(20)2/h3-12H,1,13-14H2,2H3,(H,24,27).
What are the key properties of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide?
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide has a molecular weight of 388.43 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide is sourced from PubChem (CID 55854248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).