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

C18H17N3O2 — CID 54584364

IUPACN-[3-[4-[hydroxy(1H-imidazol-5-yl)methyl]phenyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccc(C(O)c3cnc[nH]3)cc2)c1
InChIInChI=1S/C18H17N3O2/c1-12(22)21-16-4-2-3-15(9-16)13-5-7-14(8-6-13)18(23)17-10-19-11-20-17/h2-11,18,23H,1H3,(H,19,20)(H,21,22)
InChIKeyYKJRYOUVLGHMHB-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.12
Rot. Bonds4

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

N-[3-[4-[hydroxy(1H-imidazol-5-yl)methyl]phenyl]phenyl]acetamide (PubChem CID 54584364) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[3-[4-[hydroxy(1H-imidazol-5-yl)methyl]phenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-[hydroxy(1H-imidazol-5-yl)methyl]phenyl]phenyl]acetamide
PubChem CID54584364
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-[3-[4-[hydroxy(1H-imidazol-5-yl)methyl]phenyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccc(C(O)c3cnc[nH]3)cc2)c1
InChIInChI=1S/C18H17N3O2/c1-12(22)21-16-4-2-3-15(9-16)13-5-7-14(8-6-13)18(23)17-10-19-11-20-17/h2-11,18,23H,1H3,(H,19,20)(H,21,22)
InChIKeyYKJRYOUVLGHMHB-UHFFFAOYSA-N
XLogP3.12
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[hydroxy(1H-imidazol-5-yl)methyl]phenyl]phenyl]acetamide?
The IUPAC name of N-[3-[4-[hydroxy(1H-imidazol-5-yl)methyl]phenyl]phenyl]acetamide (CID 54584364) is N-[3-[4-[hydroxy(1H-imidazol-5-yl)methyl]phenyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-[hydroxy(1H-imidazol-5-yl)methyl]phenyl]phenyl]acetamide?
The canonical SMILES for N-[3-[4-[hydroxy(1H-imidazol-5-yl)methyl]phenyl]phenyl]acetamide is CC(=O)Nc1cccc(-c2ccc(C(O)c3cnc[nH]3)cc2)c1.
What is the InChIKey of N-[3-[4-[hydroxy(1H-imidazol-5-yl)methyl]phenyl]phenyl]acetamide?
The InChIKey is YKJRYOUVLGHMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12(22)21-16-4-2-3-15(9-16)13-5-7-14(8-6-13)18(23)17-10-19-11-20-17/h2-11,18,23H,1H3,(H,19,20)(H,21,22).
What are the key properties of N-[3-[4-[hydroxy(1H-imidazol-5-yl)methyl]phenyl]phenyl]acetamide?
N-[3-[4-[hydroxy(1H-imidazol-5-yl)methyl]phenyl]phenyl]acetamide has a molecular weight of 307.35 g/mol, XLogP of 3.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[hydroxy(1H-imidazol-5-yl)methyl]phenyl]phenyl]acetamide is sourced from PubChem (CID 54584364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).