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

C21H21N3O2 — CID 18668607

IUPACN-[3-[4-[cyclopropyl-hydroxy-(1H-imidazol-5-yl)methyl]phenyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccc(C(O)(c3cnc[nH]3)C3CC3)cc2)c1
InChIInChI=1S/C21H21N3O2/c1-14(25)24-19-4-2-3-16(11-19)15-5-7-17(8-6-15)21(26,18-9-10-18)20-12-22-13-23-20/h2-8,11-13,18,26H,9-10H2,1H3,(H,22,23)(H,24,25)
InChIKeyWAXZAJPOBWYNFU-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.68
Rot. Bonds5

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

N-[3-[4-[cyclopropyl-hydroxy-(1H-imidazol-5-yl)methyl]phenyl]phenyl]acetamide (PubChem CID 18668607) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[3-[4-[cyclopropyl-hydroxy-(1H-imidazol-5-yl)methyl]phenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-[cyclopropyl-hydroxy-(1H-imidazol-5-yl)methyl]phenyl]phenyl]acetamide
PubChem CID18668607
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[3-[4-[cyclopropyl-hydroxy-(1H-imidazol-5-yl)methyl]phenyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccc(C(O)(c3cnc[nH]3)C3CC3)cc2)c1
InChIInChI=1S/C21H21N3O2/c1-14(25)24-19-4-2-3-16(11-19)15-5-7-17(8-6-15)21(26,18-9-10-18)20-12-22-13-23-20/h2-8,11-13,18,26H,9-10H2,1H3,(H,22,23)(H,24,25)
InChIKeyWAXZAJPOBWYNFU-UHFFFAOYSA-N
XLogP3.68
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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
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
N-(6-{4-[1-hydroxy-1-(1H-imidazol-4-yl)-2-methylpropyl]phenyl}-2-pyridyl)acetamide
CID 18668580
N-{4'-[1-hydroxy-1-(1H-imidazol-4-yl)-2-methylpropyl][1,1'-biphenyl]-4-yl}acetamide
CID 18668583

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[cyclopropyl-hydroxy-(1H-imidazol-5-yl)methyl]phenyl]phenyl]acetamide?
The IUPAC name of N-[3-[4-[cyclopropyl-hydroxy-(1H-imidazol-5-yl)methyl]phenyl]phenyl]acetamide (CID 18668607) is N-[3-[4-[cyclopropyl-hydroxy-(1H-imidazol-5-yl)methyl]phenyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-[cyclopropyl-hydroxy-(1H-imidazol-5-yl)methyl]phenyl]phenyl]acetamide?
The canonical SMILES for N-[3-[4-[cyclopropyl-hydroxy-(1H-imidazol-5-yl)methyl]phenyl]phenyl]acetamide is CC(=O)Nc1cccc(-c2ccc(C(O)(c3cnc[nH]3)C3CC3)cc2)c1.
What is the InChIKey of N-[3-[4-[cyclopropyl-hydroxy-(1H-imidazol-5-yl)methyl]phenyl]phenyl]acetamide?
The InChIKey is WAXZAJPOBWYNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-14(25)24-19-4-2-3-16(11-19)15-5-7-17(8-6-15)21(26,18-9-10-18)20-12-22-13-23-20/h2-8,11-13,18,26H,9-10H2,1H3,(H,22,23)(H,24,25).
What are the key properties of N-[3-[4-[cyclopropyl-hydroxy-(1H-imidazol-5-yl)methyl]phenyl]phenyl]acetamide?
N-[3-[4-[cyclopropyl-hydroxy-(1H-imidazol-5-yl)methyl]phenyl]phenyl]acetamide has a molecular weight of 347.42 g/mol, XLogP of 3.68, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[cyclopropyl-hydroxy-(1H-imidazol-5-yl)methyl]phenyl]phenyl]acetamide is sourced from PubChem (CID 18668607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).