2-amino-N-[(1-methylimidazol-2-yl)methyl]-2-(4-methylphenyl)acetamide

C14H18N4O — CID 106151713

IUPAC2-amino-N-[(1-methylimidazol-2-yl)methyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(N)C(=O)NCc2nccn2C)cc1
InChIInChI=1S/C14H18N4O/c1-10-3-5-11(6-4-10)13(15)14(19)17-9-12-16-7-8-18(12)2/h3-8,13H,9,15H2,1-2H3,(H,17,19)
InChIKeyIBBDLLKUQWBCEO-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.04
Rot. Bonds4

About 2-amino-N-[(1-methylimidazol-2-yl)methyl]-2-(4-methylphenyl)acetamide

2-amino-N-[(1-methylimidazol-2-yl)methyl]-2-(4-methylphenyl)acetamide (PubChem CID 106151713) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-amino-N-[(1-methylimidazol-2-yl)methyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-amino-N-[(1-methylimidazol-2-yl)methyl]-2-(4-methylphenyl)acetamide
PubChem CID106151713
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-amino-N-[(1-methylimidazol-2-yl)methyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(N)C(=O)NCc2nccn2C)cc1
InChIInChI=1S/C14H18N4O/c1-10-3-5-11(6-4-10)13(15)14(19)17-9-12-16-7-8-18(12)2/h3-8,13H,9,15H2,1-2H3,(H,17,19)
InChIKeyIBBDLLKUQWBCEO-UHFFFAOYSA-N
XLogP1.04
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(4-methylphenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 106151661
2-amino-N-[(1-methylimidazol-2-yl)methyl]-2-thiophen-2-ylacetamide
CID 115287266
(2R)-2-amino-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 79013544
2-amino-3,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 76994588
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
(2R)-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 130637454
3-amino-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 63293672
2-amino-N-(3-imidazol-1-ylpropyl)-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669271
2-amino-2-(4-methylphenyl)-N-[(5-methylpyrazin-2-yl)methyl]acetamide
CID 106312354
2-methoxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 115610745
2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669775
2-amino-N-(2-aminoethyl)-2-(4-methylphenyl)acetamide
CID 106151018

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-methylimidazol-2-yl)methyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of 2-amino-N-[(1-methylimidazol-2-yl)methyl]-2-(4-methylphenyl)acetamide (CID 106151713) is 2-amino-N-[(1-methylimidazol-2-yl)methyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-amino-N-[(1-methylimidazol-2-yl)methyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for 2-amino-N-[(1-methylimidazol-2-yl)methyl]-2-(4-methylphenyl)acetamide is Cc1ccc(C(N)C(=O)NCc2nccn2C)cc1.
What is the InChIKey of 2-amino-N-[(1-methylimidazol-2-yl)methyl]-2-(4-methylphenyl)acetamide?
The InChIKey is IBBDLLKUQWBCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-3-5-11(6-4-10)13(15)14(19)17-9-12-16-7-8-18(12)2/h3-8,13H,9,15H2,1-2H3,(H,17,19).
What are the key properties of 2-amino-N-[(1-methylimidazol-2-yl)methyl]-2-(4-methylphenyl)acetamide?
2-amino-N-[(1-methylimidazol-2-yl)methyl]-2-(4-methylphenyl)acetamide has a molecular weight of 258.32 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-methylimidazol-2-yl)methyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 106151713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).