4-[[2-(2-methylimidazol-1-yl)acetyl]amino]benzamide

C13H14N4O2 — CID 42942992

IUPAC4-[[2-(2-methylimidazol-1-yl)acetyl]amino]benzamide
SMILESCc1nccn1CC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C13H14N4O2/c1-9-15-6-7-17(9)8-12(18)16-11-4-2-10(3-5-11)13(14)19/h2-7H,8H2,1H3,(H2,14,19)(H,16,18)
InChIKeyDZWGFLYBXCDXLU-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.93
Rot. Bonds4

About 4-[[2-(2-methylimidazol-1-yl)acetyl]amino]benzamide

4-[[2-(2-methylimidazol-1-yl)acetyl]amino]benzamide (PubChem CID 42942992) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-[[2-(2-methylimidazol-1-yl)acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-(2-methylimidazol-1-yl)acetyl]amino]benzamide
PubChem CID42942992
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name4-[[2-(2-methylimidazol-1-yl)acetyl]amino]benzamide
SMILESCc1nccn1CC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C13H14N4O2/c1-9-15-6-7-17(9)8-12(18)16-11-4-2-10(3-5-11)13(14)19/h2-7H,8H2,1H3,(H2,14,19)(H,16,18)
InChIKeyDZWGFLYBXCDXLU-UHFFFAOYSA-N
XLogP0.93
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-2-(2-methylimidazol-1-yl)acetamide
CID 55028374
N-(4-ethoxyphenyl)-4-[[2-(2-methylimidazol-1-yl)acetyl]amino]benzamide
CID 43055653
N-(3-chlorophenyl)-2-(2-methylimidazol-1-yl)acetamide
CID 60724518
4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 18073833
N-(4-amino-2-bromophenyl)-2-(2-methylimidazol-1-yl)acetamide
CID 43376146
N-(4-acetamidophenyl)-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494672
3-methyl-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 114485936
2-[2-(hydroxymethyl)imidazol-1-yl]-N-phenylacetamide
CID 62221393
2-[2-(aminomethyl)imidazol-1-yl]-N-(4-fluorophenyl)acetamide
CID 55048330
4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzamide
CID 9192131
2-[2-(1-hydroxyethyl)imidazol-1-yl]-N-phenylacetamide
CID 142479688
4-(2-methylimidazol-1-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide
CID 51126229

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methylimidazol-1-yl)acetyl]amino]benzamide?
The IUPAC name of 4-[[2-(2-methylimidazol-1-yl)acetyl]amino]benzamide (CID 42942992) is 4-[[2-(2-methylimidazol-1-yl)acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-(2-methylimidazol-1-yl)acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-(2-methylimidazol-1-yl)acetyl]amino]benzamide is Cc1nccn1CC(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[2-(2-methylimidazol-1-yl)acetyl]amino]benzamide?
The InChIKey is DZWGFLYBXCDXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-9-15-6-7-17(9)8-12(18)16-11-4-2-10(3-5-11)13(14)19/h2-7H,8H2,1H3,(H2,14,19)(H,16,18).
What are the key properties of 4-[[2-(2-methylimidazol-1-yl)acetyl]amino]benzamide?
4-[[2-(2-methylimidazol-1-yl)acetyl]amino]benzamide has a molecular weight of 258.28 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-methylimidazol-1-yl)acetyl]amino]benzamide is sourced from PubChem (CID 42942992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).