2-[(1-methylimidazol-2-yl)amino]-N-propan-2-ylacetamide

C9H16N4O — CID 62133098

IUPAC2-[(1-methylimidazol-2-yl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1nccn1C
InChIInChI=1S/C9H16N4O/c1-7(2)12-8(14)6-11-9-10-4-5-13(9)3/h4-5,7H,6H2,1-3H3,(H,10,11)(H,12,14)
InChIKeyOTGCNCYBNKUQBY-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.36
Rot. Bonds4

About 2-[(1-methylimidazol-2-yl)amino]-N-propan-2-ylacetamide

2-[(1-methylimidazol-2-yl)amino]-N-propan-2-ylacetamide (PubChem CID 62133098) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-[(1-methylimidazol-2-yl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(1-methylimidazol-2-yl)amino]-N-propan-2-ylacetamide
PubChem CID62133098
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-[(1-methylimidazol-2-yl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1nccn1C
InChIInChI=1S/C9H16N4O/c1-7(2)12-8(14)6-11-9-10-4-5-13(9)3/h4-5,7H,6H2,1-3H3,(H,10,11)(H,12,14)
InChIKeyOTGCNCYBNKUQBY-UHFFFAOYSA-N
XLogP0.36
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylimidazol-2-yl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(1-methylimidazol-2-yl)amino]-N-propan-2-ylacetamide (CID 62133098) is 2-[(1-methylimidazol-2-yl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(1-methylimidazol-2-yl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(1-methylimidazol-2-yl)amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNc1nccn1C.
What is the InChIKey of 2-[(1-methylimidazol-2-yl)amino]-N-propan-2-ylacetamide?
The InChIKey is OTGCNCYBNKUQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7(2)12-8(14)6-11-9-10-4-5-13(9)3/h4-5,7H,6H2,1-3H3,(H,10,11)(H,12,14).
What are the key properties of 2-[(1-methylimidazol-2-yl)amino]-N-propan-2-ylacetamide?
2-[(1-methylimidazol-2-yl)amino]-N-propan-2-ylacetamide has a molecular weight of 196.25 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylimidazol-2-yl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 62133098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).