2-[2-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide

C13H15N3O — CID 146841548

IUPAC2-[2-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide
SMILESCc1nccn1Cc1ccccc1CC(N)=O
InChIInChI=1S/C13H15N3O/c1-10-15-6-7-16(10)9-12-5-3-2-4-11(12)8-13(14)17/h2-7H,8-9H2,1H3,(H2,14,17)
InChIKeySGFVPPVQTZZUIE-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.27
Rot. Bonds4

About 2-[2-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide

2-[2-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide (PubChem CID 146841548) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[2-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[2-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide
PubChem CID146841548
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-[2-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide
SMILESCc1nccn1Cc1ccccc1CC(N)=O
InChIInChI=1S/C13H15N3O/c1-10-15-6-7-16(10)9-12-5-3-2-4-11(12)8-13(14)17/h2-7H,8-9H2,1H3,(H2,14,17)
InChIKeySGFVPPVQTZZUIE-UHFFFAOYSA-N
XLogP1.27
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]propanamide;dihydrochloride
CID 154912858
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CID 114485936
ethane;1-[(2-methoxyphenyl)methyl]-2-methylimidazole
CID 144668203
N-ethyl-2-[2-[(2-methylimidazol-1-yl)methyl]phenyl]ethanamine
CID 115464316
4-fluoro-3-[(2-methylimidazol-1-yl)methyl]benzamide
CID 63811780
1-benzyl-2-methylimidazole
CID 158634472
1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazole
CID 141394809
2-[2-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetic acid
CID 113314417
2-[(2-methylimidazol-1-yl)methyl]-6-nitroaniline
CID 107351714
3-[(2-methylimidazol-1-yl)methyl]quinolin-2-amine
CID 62209706
2-[2-[(2-formylimidazol-1-yl)methyl]phenyl]acetic acid
CID 115463139
N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-pyrazol-1-ylbenzamide
CID 131899424

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide?
The IUPAC name of 2-[2-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide (CID 146841548) is 2-[2-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide.
What is the SMILES notation for 2-[2-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide?
The canonical SMILES for 2-[2-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide is Cc1nccn1Cc1ccccc1CC(N)=O.
What is the InChIKey of 2-[2-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide?
The InChIKey is SGFVPPVQTZZUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-10-15-6-7-16(10)9-12-5-3-2-4-11(12)8-13(14)17/h2-7H,8-9H2,1H3,(H2,14,17).
What are the key properties of 2-[2-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide?
2-[2-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide has a molecular weight of 229.28 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 146841548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).