2-[3-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]imidazol-2-yl]phenoxy]acetamide

C21H21N3O2 — CID 95873148

IUPAC2-[3-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]imidazol-2-yl]phenoxy]acetamide
SMILESNC(=O)COc1cccc(-c2nccn2[C@@H]2CCc3ccccc3C2)c1
InChIInChI=1S/C21H21N3O2/c22-20(25)14-26-19-7-3-6-17(13-19)21-23-10-11-24(21)18-9-8-15-4-1-2-5-16(15)12-18/h1-7,10-11,13,18H,8-9,12,14H2,(H2,22,25)/t18-/m1/s1
InChIKeyGUARPILSCNIMNR-GOSISDBHSA-N
MW347.42 g/mol
LogP3.14
Rot. Bonds5

About 2-[3-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]imidazol-2-yl]phenoxy]acetamide

2-[3-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]imidazol-2-yl]phenoxy]acetamide (PubChem CID 95873148) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-[3-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]imidazol-2-yl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]imidazol-2-yl]phenoxy]acetamide
PubChem CID95873148
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name2-[3-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]imidazol-2-yl]phenoxy]acetamide
SMILESNC(=O)COc1cccc(-c2nccn2[C@@H]2CCc3ccccc3C2)c1
InChIInChI=1S/C21H21N3O2/c22-20(25)14-26-19-7-3-6-17(13-19)21-23-10-11-24(21)18-9-8-15-4-1-2-5-16(15)12-18/h1-7,10-11,13,18H,8-9,12,14H2,(H2,22,25)/t18-/m1/s1
InChIKeyGUARPILSCNIMNR-GOSISDBHSA-N
XLogP3.14
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(3S)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]phenoxy]acetamide
CID 95327827
2-[3-[1-(2-methyl-1,3-benzothiazol-6-yl)imidazol-2-yl]phenoxy]acetamide
CID 50957135
2-[3-[4-(cyclopropylmethoxy)phenyl]phenoxy]acetamide
CID 72874618
1,1'-biphenyl;2-phenoxyacetamide
CID 160961256
3-[2-(3-methoxyphenyl)imidazol-1-yl]-1-methylpiperidine
CID 154817064
1-(2,3-dihydro-1H-inden-2-yl)-5-[3-(3-hydroxypropoxy)phenyl]imidazole-4-carboxylic acid
CID 70311258
2-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1-(oxan-4-yl)imidazole
CID 154566107
2-[3-[(6R)-2-amino-3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-4-yl]phenoxy]acetamide
CID 95402496
N-cyclopropyl-2-(3-methylphenoxy)-N-pyridin-2-ylacetamide
CID 110723139
[3-(2-amino-2-oxoethoxy)phenyl]methylideneoxidanium
CID 163560789
2-[3-(cyclopropylmethylamino)phenoxy]acetamide
CID 43720269
2-[4-(2,3-dihydro-1H-inden-2-ylamino)phenoxy]acetamide
CID 43711232

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]imidazol-2-yl]phenoxy]acetamide?
The IUPAC name of 2-[3-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]imidazol-2-yl]phenoxy]acetamide (CID 95873148) is 2-[3-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]imidazol-2-yl]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]imidazol-2-yl]phenoxy]acetamide?
The canonical SMILES for 2-[3-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]imidazol-2-yl]phenoxy]acetamide is NC(=O)COc1cccc(-c2nccn2[C@@H]2CCc3ccccc3C2)c1.
What is the InChIKey of 2-[3-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]imidazol-2-yl]phenoxy]acetamide?
The InChIKey is GUARPILSCNIMNR-GOSISDBHSA-N. The full InChI is InChI=1S/C21H21N3O2/c22-20(25)14-26-19-7-3-6-17(13-19)21-23-10-11-24(21)18-9-8-15-4-1-2-5-16(15)12-18/h1-7,10-11,13,18H,8-9,12,14H2,(H2,22,25)/t18-/m1/s1.
What are the key properties of 2-[3-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]imidazol-2-yl]phenoxy]acetamide?
2-[3-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]imidazol-2-yl]phenoxy]acetamide has a molecular weight of 347.42 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]imidazol-2-yl]phenoxy]acetamide is sourced from PubChem (CID 95873148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).