2-(4-cyclopropylphenyl)-N-[[4-(4-hydroxyphenyl)-2-methyl-1H-imidazol-5-yl]methyl]acetamide

C22H23N3O2 — CID 52932212

IUPAC2-(4-cyclopropylphenyl)-N-[[4-(4-hydroxyphenyl)-2-methyl-1H-imidazol-5-yl]methyl]acetamide
SMILESCc1nc(-c2ccc(O)cc2)c(CNC(=O)Cc2ccc(C3CC3)cc2)[nH]1
InChIInChI=1S/C22H23N3O2/c1-14-24-20(22(25-14)18-8-10-19(26)11-9-18)13-23-21(27)12-15-2-4-16(5-3-15)17-6-7-17/h2-5,8-11,17,26H,6-7,12-13H2,1H3,(H,23,27)(H,24,25)
InChIKeyJCWUHFOUMZDSFK-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.83
Rot. Bonds6

About 2-(4-cyclopropylphenyl)-N-[[4-(4-hydroxyphenyl)-2-methyl-1H-imidazol-5-yl]methyl]acetamide

2-(4-cyclopropylphenyl)-N-[[4-(4-hydroxyphenyl)-2-methyl-1H-imidazol-5-yl]methyl]acetamide (PubChem CID 52932212) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-(4-cyclopropylphenyl)-N-[[4-(4-hydroxyphenyl)-2-methyl-1H-imidazol-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-cyclopropylphenyl)-N-[[4-(4-hydroxyphenyl)-2-methyl-1H-imidazol-5-yl]methyl]acetamide
PubChem CID52932212
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name2-(4-cyclopropylphenyl)-N-[[4-(4-hydroxyphenyl)-2-methyl-1H-imidazol-5-yl]methyl]acetamide
SMILESCc1nc(-c2ccc(O)cc2)c(CNC(=O)Cc2ccc(C3CC3)cc2)[nH]1
InChIInChI=1S/C22H23N3O2/c1-14-24-20(22(25-14)18-8-10-19(26)11-9-18)13-23-21(27)12-15-2-4-16(5-3-15)17-6-7-17/h2-5,8-11,17,26H,6-7,12-13H2,1H3,(H,23,27)(H,24,25)
InChIKeyJCWUHFOUMZDSFK-UHFFFAOYSA-N
XLogP3.83
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylphenyl)-N-[[4-(4-hydroxyphenyl)-2-methyl-1H-imidazol-5-yl]methyl]acetamide?
The IUPAC name of 2-(4-cyclopropylphenyl)-N-[[4-(4-hydroxyphenyl)-2-methyl-1H-imidazol-5-yl]methyl]acetamide (CID 52932212) is 2-(4-cyclopropylphenyl)-N-[[4-(4-hydroxyphenyl)-2-methyl-1H-imidazol-5-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-cyclopropylphenyl)-N-[[4-(4-hydroxyphenyl)-2-methyl-1H-imidazol-5-yl]methyl]acetamide?
The canonical SMILES for 2-(4-cyclopropylphenyl)-N-[[4-(4-hydroxyphenyl)-2-methyl-1H-imidazol-5-yl]methyl]acetamide is Cc1nc(-c2ccc(O)cc2)c(CNC(=O)Cc2ccc(C3CC3)cc2)[nH]1.
What is the InChIKey of 2-(4-cyclopropylphenyl)-N-[[4-(4-hydroxyphenyl)-2-methyl-1H-imidazol-5-yl]methyl]acetamide?
The InChIKey is JCWUHFOUMZDSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-14-24-20(22(25-14)18-8-10-19(26)11-9-18)13-23-21(27)12-15-2-4-16(5-3-15)17-6-7-17/h2-5,8-11,17,26H,6-7,12-13H2,1H3,(H,23,27)(H,24,25).
What are the key properties of 2-(4-cyclopropylphenyl)-N-[[4-(4-hydroxyphenyl)-2-methyl-1H-imidazol-5-yl]methyl]acetamide?
2-(4-cyclopropylphenyl)-N-[[4-(4-hydroxyphenyl)-2-methyl-1H-imidazol-5-yl]methyl]acetamide has a molecular weight of 361.45 g/mol, XLogP of 3.83, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylphenyl)-N-[[4-(4-hydroxyphenyl)-2-methyl-1H-imidazol-5-yl]methyl]acetamide is sourced from PubChem (CID 52932212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).