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

C21H23N3O2 — CID 18668614

IUPAC3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2ccc(C(O)(c3cnc[nH]3)C(C)C)cc2)c1
InChIInChI=1S/C21H23N3O2/c1-14(2)21(26,19-12-23-13-24-19)18-9-7-15(8-10-18)16-5-4-6-17(11-16)20(25)22-3/h4-14,26H,1-3H3,(H,22,25)(H,23,24)
InChIKeyCFCJVXMNOZCNMK-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.33
Rot. Bonds5

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

3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]-N-methylbenzamide (PubChem CID 18668614) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]-N-methylbenzamide
PubChem CID18668614
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2ccc(C(O)(c3cnc[nH]3)C(C)C)cc2)c1
InChIInChI=1S/C21H23N3O2/c1-14(2)21(26,19-12-23-13-24-19)18-9-7-15(8-10-18)16-5-4-6-17(11-16)20(25)22-3/h4-14,26H,1-3H3,(H,22,25)(H,23,24)
InChIKeyCFCJVXMNOZCNMK-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]-N-methylbenzamide?
The IUPAC name of 3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]-N-methylbenzamide (CID 18668614) is 3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]-N-methylbenzamide.
What is the SMILES notation for 3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]-N-methylbenzamide?
The canonical SMILES for 3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]-N-methylbenzamide is CNC(=O)c1cccc(-c2ccc(C(O)(c3cnc[nH]3)C(C)C)cc2)c1.
What is the InChIKey of 3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]-N-methylbenzamide?
The InChIKey is CFCJVXMNOZCNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14(2)21(26,19-12-23-13-24-19)18-9-7-15(8-10-18)16-5-4-6-17(11-16)20(25)22-3/h4-14,26H,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]-N-methylbenzamide?
3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]-N-methylbenzamide has a molecular weight of 349.43 g/mol, XLogP of 3.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]-N-methylbenzamide is sourced from PubChem (CID 18668614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).