2-[4-[(E)-3-hydroxy-3-(1H-imidazol-2-yl)prop-1-enyl]phenyl]-N-phenylacetamide

C20H19N3O2 — CID 155381875

IUPAC2-[4-[(E)-3-hydroxy-3-(1H-imidazol-2-yl)prop-1-enyl]phenyl]-N-phenylacetamide
SMILESO=C(Cc1ccc(/C=C/C(O)c2ncc[nH]2)cc1)Nc1ccccc1
InChIInChI=1S/C20H19N3O2/c24-18(20-21-12-13-22-20)11-10-15-6-8-16(9-7-15)14-19(25)23-17-4-2-1-3-5-17/h1-13,18,24H,14H2,(H,21,22)(H,23,25)/b11-10+
InChIKeyBVXLAHVBCWJOGW-ZHACJKMWSA-N
MW333.39 g/mol
LogP3.34
Rot. Bonds6

About 2-[4-[(E)-3-hydroxy-3-(1H-imidazol-2-yl)prop-1-enyl]phenyl]-N-phenylacetamide

2-[4-[(E)-3-hydroxy-3-(1H-imidazol-2-yl)prop-1-enyl]phenyl]-N-phenylacetamide (PubChem CID 155381875) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-[4-[(E)-3-hydroxy-3-(1H-imidazol-2-yl)prop-1-enyl]phenyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[(E)-3-hydroxy-3-(1H-imidazol-2-yl)prop-1-enyl]phenyl]-N-phenylacetamide
PubChem CID155381875
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name2-[4-[(E)-3-hydroxy-3-(1H-imidazol-2-yl)prop-1-enyl]phenyl]-N-phenylacetamide
SMILESO=C(Cc1ccc(/C=C/C(O)c2ncc[nH]2)cc1)Nc1ccccc1
InChIInChI=1S/C20H19N3O2/c24-18(20-21-12-13-22-20)11-10-15-6-8-16(9-7-15)14-19(25)23-17-4-2-1-3-5-17/h1-13,18,24H,14H2,(H,21,22)(H,23,25)/b11-10+
InChIKeyBVXLAHVBCWJOGW-ZHACJKMWSA-N
XLogP3.34
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-3-hydroxy-3-(1H-imidazol-2-yl)prop-1-enyl]phenyl]-N-phenylacetamide?
The IUPAC name of 2-[4-[(E)-3-hydroxy-3-(1H-imidazol-2-yl)prop-1-enyl]phenyl]-N-phenylacetamide (CID 155381875) is 2-[4-[(E)-3-hydroxy-3-(1H-imidazol-2-yl)prop-1-enyl]phenyl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[(E)-3-hydroxy-3-(1H-imidazol-2-yl)prop-1-enyl]phenyl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[(E)-3-hydroxy-3-(1H-imidazol-2-yl)prop-1-enyl]phenyl]-N-phenylacetamide is O=C(Cc1ccc(/C=C/C(O)c2ncc[nH]2)cc1)Nc1ccccc1.
What is the InChIKey of 2-[4-[(E)-3-hydroxy-3-(1H-imidazol-2-yl)prop-1-enyl]phenyl]-N-phenylacetamide?
The InChIKey is BVXLAHVBCWJOGW-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-18(20-21-12-13-22-20)11-10-15-6-8-16(9-7-15)14-19(25)23-17-4-2-1-3-5-17/h1-13,18,24H,14H2,(H,21,22)(H,23,25)/b11-10+.
What are the key properties of 2-[4-[(E)-3-hydroxy-3-(1H-imidazol-2-yl)prop-1-enyl]phenyl]-N-phenylacetamide?
2-[4-[(E)-3-hydroxy-3-(1H-imidazol-2-yl)prop-1-enyl]phenyl]-N-phenylacetamide has a molecular weight of 333.39 g/mol, XLogP of 3.34, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-3-hydroxy-3-(1H-imidazol-2-yl)prop-1-enyl]phenyl]-N-phenylacetamide is sourced from PubChem (CID 155381875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).