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

C20H21N3O2 — CID 18668538

IUPACN-[3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)propyl]phenyl]phenyl]acetamide
SMILESCCC(O)(c1ccc(-c2cccc(NC(C)=O)c2)cc1)c1cnc[nH]1
InChIInChI=1S/C20H21N3O2/c1-3-20(25,19-12-21-13-22-19)17-9-7-15(8-10-17)16-5-4-6-18(11-16)23-14(2)24/h4-13,25H,3H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyLSNINMQJLNWRJL-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.68
Rot. Bonds5

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

N-[3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)propyl]phenyl]phenyl]acetamide (PubChem CID 18668538) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)propyl]phenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)propyl]phenyl]phenyl]acetamide
PubChem CID18668538
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)propyl]phenyl]phenyl]acetamide
SMILESCCC(O)(c1ccc(-c2cccc(NC(C)=O)c2)cc1)c1cnc[nH]1
InChIInChI=1S/C20H21N3O2/c1-3-20(25,19-12-21-13-22-19)17-9-7-15(8-10-17)16-5-4-6-18(11-16)23-14(2)24/h4-13,25H,3H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyLSNINMQJLNWRJL-UHFFFAOYSA-N
XLogP3.68
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)propyl]phenyl]phenyl]acetamide?
The IUPAC name of N-[3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)propyl]phenyl]phenyl]acetamide (CID 18668538) is N-[3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)propyl]phenyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)propyl]phenyl]phenyl]acetamide?
The canonical SMILES for N-[3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)propyl]phenyl]phenyl]acetamide is CCC(O)(c1ccc(-c2cccc(NC(C)=O)c2)cc1)c1cnc[nH]1.
What is the InChIKey of N-[3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)propyl]phenyl]phenyl]acetamide?
The InChIKey is LSNINMQJLNWRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-3-20(25,19-12-21-13-22-19)17-9-7-15(8-10-17)16-5-4-6-18(11-16)23-14(2)24/h4-13,25H,3H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of N-[3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)propyl]phenyl]phenyl]acetamide?
N-[3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)propyl]phenyl]phenyl]acetamide has a molecular weight of 335.41 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-[1-hydroxy-1-(1H-imidazol-5-yl)propyl]phenyl]phenyl]acetamide is sourced from PubChem (CID 18668538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).