N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-(4-phenylimidazol-1-yl)acetamide

C22H23N3O3 — CID 125431726

IUPACN-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-(4-phenylimidazol-1-yl)acetamide
SMILESCOc1cc2c(cc1OC)[C@@H](NC(=O)Cn1cnc(-c3ccccc3)c1)CC2
InChIInChI=1S/C22H23N3O3/c1-27-20-10-16-8-9-18(17(16)11-21(20)28-2)24-22(26)13-25-12-19(23-14-25)15-6-4-3-5-7-15/h3-7,10-12,14,18H,8-9,13H2,1-2H3,(H,24,26)/t18-/m0/s1
InChIKeyXCHOUKKRBBOHKX-SFHVURJKSA-N
MW377.44 g/mol
LogP3.37
Rot. Bonds6

About N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-(4-phenylimidazol-1-yl)acetamide

N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-(4-phenylimidazol-1-yl)acetamide (PubChem CID 125431726) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-(4-phenylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-(4-phenylimidazol-1-yl)acetamide
PubChem CID125431726
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-(4-phenylimidazol-1-yl)acetamide
SMILESCOc1cc2c(cc1OC)[C@@H](NC(=O)Cn1cnc(-c3ccccc3)c1)CC2
InChIInChI=1S/C22H23N3O3/c1-27-20-10-16-8-9-18(17(16)11-21(20)28-2)24-22(26)13-25-12-19(23-14-25)15-6-4-3-5-7-15/h3-7,10-12,14,18H,8-9,13H2,1-2H3,(H,24,26)/t18-/m0/s1
InChIKeyXCHOUKKRBBOHKX-SFHVURJKSA-N
XLogP3.37
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-(4-phenylimidazol-1-yl)acetamide
CID 125431725
N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-indol-1-ylacetamide
CID 125432031
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 125432017
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyphenyl)propanamide
CID 110399723
N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-4-(1-methylindol-3-yl)butanamide
CID 125429552
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 128962659
3-(3-acetylindol-1-yl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)propanamide
CID 128963249
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(4-fluorophenyl)acetamide
CID 110399683
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)acetamide
CID 127255333
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide
CID 121240337
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[(1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
CID 69039913
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide
CID 110399663

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-(4-phenylimidazol-1-yl)acetamide?
The IUPAC name of N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-(4-phenylimidazol-1-yl)acetamide (CID 125431726) is N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-(4-phenylimidazol-1-yl)acetamide.
What is the SMILES notation for N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-(4-phenylimidazol-1-yl)acetamide?
The canonical SMILES for N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-(4-phenylimidazol-1-yl)acetamide is COc1cc2c(cc1OC)[C@@H](NC(=O)Cn1cnc(-c3ccccc3)c1)CC2.
What is the InChIKey of N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-(4-phenylimidazol-1-yl)acetamide?
The InChIKey is XCHOUKKRBBOHKX-SFHVURJKSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-27-20-10-16-8-9-18(17(16)11-21(20)28-2)24-22(26)13-25-12-19(23-14-25)15-6-4-3-5-7-15/h3-7,10-12,14,18H,8-9,13H2,1-2H3,(H,24,26)/t18-/m0/s1.
What are the key properties of N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-(4-phenylimidazol-1-yl)acetamide?
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-(4-phenylimidazol-1-yl)acetamide has a molecular weight of 377.44 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-(4-phenylimidazol-1-yl)acetamide is sourced from PubChem (CID 125431726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).