2-[5-(3-methylphenyl)-1H-imidazol-2-yl]acetamide

C12H13N3O — CID 139606187

IUPAC2-[5-(3-methylphenyl)-1H-imidazol-2-yl]acetamide
SMILESCc1cccc(-c2cnc(CC(N)=O)[nH]2)c1
InChIInChI=1S/C12H13N3O/c1-8-3-2-4-9(5-8)10-7-14-12(15-10)6-11(13)16/h2-5,7H,6H2,1H3,(H2,13,16)(H,14,15)
InChIKeyWGRQYTHFZRWIRZ-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.41
Rot. Bonds3

About 2-[5-(3-methylphenyl)-1H-imidazol-2-yl]acetamide

2-[5-(3-methylphenyl)-1H-imidazol-2-yl]acetamide (PubChem CID 139606187) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-[5-(3-methylphenyl)-1H-imidazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[5-(3-methylphenyl)-1H-imidazol-2-yl]acetamide
PubChem CID139606187
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-[5-(3-methylphenyl)-1H-imidazol-2-yl]acetamide
SMILESCc1cccc(-c2cnc(CC(N)=O)[nH]2)c1
InChIInChI=1S/C12H13N3O/c1-8-3-2-4-9(5-8)10-7-14-12(15-10)6-11(13)16/h2-5,7H,6H2,1H3,(H2,13,16)(H,14,15)
InChIKeyWGRQYTHFZRWIRZ-UHFFFAOYSA-N
XLogP1.41
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-methylphenyl)-1H-imidazol-2-amine
CID 66202111
2-chloro-5-(3-methylphenyl)-1H-imidazole
CID 105446615
2-[5-(3-hydroxyphenyl)-1H-imidazol-2-yl]acetic acid
CID 84683444
2-bromo-5-(3-methylphenyl)-1H-imidazole
CID 105498727
2-[5-(3-methylphenyl)-1H-imidazol-2-yl]butan-1-ol
CID 116882887
(3aS,6aR)-N-[[5-(3-methylphenyl)-1H-imidazol-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 166308946
2-[5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide
CID 134806364
3-amino-1-[2-[5-(3-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-1-one
CID 119890340
1-[5-(3-bromophenyl)-1H-imidazol-2-yl]propan-2-amine
CID 60843198
2-methyl-N-[5-(3-methylphenyl)-1H-pyrazol-3-yl]propanamide
CID 139318660
4-[[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]benzoic acid
CID 141377215
[3-[5-(3-methylphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine
CID 116882734

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methylphenyl)-1H-imidazol-2-yl]acetamide?
The IUPAC name of 2-[5-(3-methylphenyl)-1H-imidazol-2-yl]acetamide (CID 139606187) is 2-[5-(3-methylphenyl)-1H-imidazol-2-yl]acetamide.
What is the SMILES notation for 2-[5-(3-methylphenyl)-1H-imidazol-2-yl]acetamide?
The canonical SMILES for 2-[5-(3-methylphenyl)-1H-imidazol-2-yl]acetamide is Cc1cccc(-c2cnc(CC(N)=O)[nH]2)c1.
What is the InChIKey of 2-[5-(3-methylphenyl)-1H-imidazol-2-yl]acetamide?
The InChIKey is WGRQYTHFZRWIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8-3-2-4-9(5-8)10-7-14-12(15-10)6-11(13)16/h2-5,7H,6H2,1H3,(H2,13,16)(H,14,15).
What are the key properties of 2-[5-(3-methylphenyl)-1H-imidazol-2-yl]acetamide?
2-[5-(3-methylphenyl)-1H-imidazol-2-yl]acetamide has a molecular weight of 215.26 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methylphenyl)-1H-imidazol-2-yl]acetamide is sourced from PubChem (CID 139606187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).