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

C22H25N3O2 — CID 18668518

IUPAC2-[3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1cccc(-c2ccc(C(O)(c3cnc[nH]3)C(C)C)cc2)c1
InChIInChI=1S/C22H25N3O2/c1-15(2)22(27,20-13-24-14-25-20)19-9-7-17(8-10-19)18-6-4-5-16(11-18)12-21(26)23-3/h4-11,13-15,27H,12H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyCZLHWIWLHSRPBC-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.26
Rot. Bonds6

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

2-[3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]phenyl]-N-methylacetamide (PubChem CID 18668518) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-[3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]phenyl]-N-methylacetamide
PubChem CID18668518
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name2-[3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1cccc(-c2ccc(C(O)(c3cnc[nH]3)C(C)C)cc2)c1
InChIInChI=1S/C22H25N3O2/c1-15(2)22(27,20-13-24-14-25-20)19-9-7-17(8-10-19)18-6-4-5-16(11-18)12-21(26)23-3/h4-11,13-15,27H,12H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyCZLHWIWLHSRPBC-UHFFFAOYSA-N
XLogP3.26
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]phenyl]-N-methylacetamide?
The IUPAC name of 2-[3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]phenyl]-N-methylacetamide (CID 18668518) is 2-[3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]phenyl]-N-methylacetamide?
The canonical SMILES for 2-[3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]phenyl]-N-methylacetamide is CNC(=O)Cc1cccc(-c2ccc(C(O)(c3cnc[nH]3)C(C)C)cc2)c1.
What is the InChIKey of 2-[3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]phenyl]-N-methylacetamide?
The InChIKey is CZLHWIWLHSRPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15(2)22(27,20-13-24-14-25-20)19-9-7-17(8-10-19)18-6-4-5-16(11-18)12-21(26)23-3/h4-11,13-15,27H,12H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of 2-[3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]phenyl]-N-methylacetamide?
2-[3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]phenyl]-N-methylacetamide has a molecular weight of 363.46 g/mol, XLogP of 3.26, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]phenyl]-N-methylacetamide is sourced from PubChem (CID 18668518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).