N-[3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]phenyl]acetamide

C21H23N3O2 — CID 18668593

IUPACN-[3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccc(C(O)(c3cnc[nH]3)C(C)C)cc2)c1
InChIInChI=1S/C21H23N3O2/c1-14(2)21(26,20-12-22-13-23-20)18-9-7-16(8-10-18)17-5-4-6-19(11-17)24-15(3)25/h4-14,26H,1-3H3,(H,22,23)(H,24,25)
InChIKeyDDQPLMGLQXMKLK-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.93
Rot. Bonds5

About N-[3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]phenyl]acetamide

N-[3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]phenyl]acetamide (PubChem CID 18668593) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]phenyl]acetamide
PubChem CID18668593
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccc(C(O)(c3cnc[nH]3)C(C)C)cc2)c1
InChIInChI=1S/C21H23N3O2/c1-14(2)21(26,20-12-22-13-23-20)18-9-7-16(8-10-18)17-5-4-6-19(11-17)24-15(3)25/h4-14,26H,1-3H3,(H,22,23)(H,24,25)
InChIKeyDDQPLMGLQXMKLK-UHFFFAOYSA-N
XLogP3.93
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

rac-7-[1-Hydroxy-1-(1H-imidazol-4-yl)-2-methylpropyl]-1,2-dihydro-3H-benzo[e]isoindol-3-one
CID 9861918
1-[3-(4-fluorophenyl)phenyl]-1-(1H-imidazol-5-yl)-2-methylpropan-1-ol
CID 9883170
1-(4'-fluoro[1,1'-biphenyl]-4-yl)-1-(1H-imidazol-4-yl)-2-methyl-1-propanol
CID 9883171
rac-1-[1,1''-biphenyl]-3-yl-1-(1H-imidazol-4-yl)-2-methyl-1-propanol
CID 9904146
6-[1-Hydroxy-1-(1H-imidazol-4-yl)-2-methylpropyl)-N-isopropyl-2-naphthamide
CID 9906455
6-(1-Hydroxy-1-(1H-imidazol-4-yl)-2-methyl-propyl)-N-methyl-2-naphthamide
CID 9927224
rac-1-[1,1''-Biphenyl]-4-yl-1-(1H-imidazol-4-yl)-2-methyl-1-propanol
CID 12043372
1-(4'-chloro[1,1'-biphenyl]-4-yl)-1-(1H-imidazol-4-yl)-2-methyl-1-propanol
CID 12043374
rac-6-[1-Hydroxy-1-(1H-imidazol-4-yl)-2-methylpropyl]-2,3-dihydro-1H-benzo[f]isoindol-1-one
CID 12074102
1-[3-(4-fluorophenyl)-3-hydroxy-3-pyridin-2-ylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine
CID 14660410
N-{6-[1-hydroxy-1-(1H-imidazol-4-yl)-2-methylpropyl]naphthalen-2-yl}acetamide
CID 17963726
N-[4'-[1-hydroxy-1-(1H-imidazol-4yl)propyl][1,1'-biphenyl]-3-yl]acetamide
CID 18668538

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]phenyl]acetamide?
The IUPAC name of N-[3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]phenyl]acetamide (CID 18668593) is N-[3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]phenyl]acetamide?
The canonical SMILES for N-[3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]phenyl]acetamide is CC(=O)Nc1cccc(-c2ccc(C(O)(c3cnc[nH]3)C(C)C)cc2)c1.
What is the InChIKey of N-[3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]phenyl]acetamide?
The InChIKey is DDQPLMGLQXMKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14(2)21(26,20-12-22-13-23-20)18-9-7-16(8-10-18)17-5-4-6-19(11-17)24-15(3)25/h4-14,26H,1-3H3,(H,22,23)(H,24,25).
What are the key properties of N-[3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]phenyl]acetamide?
N-[3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]phenyl]acetamide has a molecular weight of 349.43 g/mol, XLogP of 3.93, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]phenyl]acetamide is sourced from PubChem (CID 18668593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).