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

C14H17N3O — CID 110474600

IUPAC2-(1-methylimidazol-2-yl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cc2nccn2C)cc1
InChIInChI=1S/C14H17N3O/c1-11-3-5-12(6-4-11)10-16-14(18)9-13-15-7-8-17(13)2/h3-8H,9-10H2,1-2H3,(H,16,18)
InChIKeyITXUTEDEIOCLRX-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.59
Rot. Bonds4

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

2-(1-methylimidazol-2-yl)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 110474600) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID110474600
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-(1-methylimidazol-2-yl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cc2nccn2C)cc1
InChIInChI=1S/C14H17N3O/c1-11-3-5-12(6-4-11)10-16-14(18)9-13-15-7-8-17(13)2/h3-8H,9-10H2,1-2H3,(H,16,18)
InChIKeyITXUTEDEIOCLRX-UHFFFAOYSA-N
XLogP1.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyanophenyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 63235692
2-(2,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 110488866
1-(1-methylimidazol-2-yl)-5-(4-methylphenyl)pentan-3-one
CID 105133851
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
2-(1-methylindol-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 4523425
2-(4-chlorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
CID 110476101
2-[2-[(1-methylimidazol-2-yl)methylamino]-2-oxoethyl]benzoic acid
CID 104601555
2-amino-N-[(1-methylimidazol-2-yl)methyl]-2-(4-methylphenyl)acetamide
CID 106151713
N-[3-(dimethylamino)propyl]-2-(1-methylimidazol-2-yl)acetamide
CID 110474563
2-[4-(chloromethyl)phenyl]-N-[(4-methylphenyl)methyl]acetamide
CID 59915565
N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 60917944
4-(bromomethyl)-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 102851668

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(1-methylimidazol-2-yl)-N-[(4-methylphenyl)methyl]acetamide (CID 110474600) is 2-(1-methylimidazol-2-yl)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)Cc2nccn2C)cc1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is ITXUTEDEIOCLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-11-3-5-12(6-4-11)10-16-14(18)9-13-15-7-8-17(13)2/h3-8H,9-10H2,1-2H3,(H,16,18).
What are the key properties of 2-(1-methylimidazol-2-yl)-N-[(4-methylphenyl)methyl]acetamide?
2-(1-methylimidazol-2-yl)-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 243.31 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 110474600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).