N-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]acetamide

C9H15N3O — CID 22883888

IUPACN-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]acetamide
SMILESCC(=O)N[C@H](c1ncc[nH]1)C(C)C
InChIInChI=1S/C9H15N3O/c1-6(2)8(12-7(3)13)9-10-4-5-11-9/h4-6,8H,1-3H3,(H,10,11)(H,12,13)/t8-/m0/s1
InChIKeyQRQIXQCODFHZGO-QMMMGPOBSA-N
MW181.24 g/mol
LogP1.24
Rot. Bonds3

About N-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]acetamide

N-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]acetamide (PubChem CID 22883888) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]acetamide
PubChem CID22883888
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]acetamide
SMILESCC(=O)N[C@H](c1ncc[nH]1)C(C)C
InChIInChI=1S/C9H15N3O/c1-6(2)8(12-7(3)13)9-10-4-5-11-9/h4-6,8H,1-3H3,(H,10,11)(H,12,13)/t8-/m0/s1
InChIKeyQRQIXQCODFHZGO-QMMMGPOBSA-N
XLogP1.24
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]acetamide?
The IUPAC name of N-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]acetamide (CID 22883888) is N-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]acetamide.
What is the SMILES notation for N-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]acetamide?
The canonical SMILES for N-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]acetamide is CC(=O)N[C@H](c1ncc[nH]1)C(C)C.
What is the InChIKey of N-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]acetamide?
The InChIKey is QRQIXQCODFHZGO-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6(2)8(12-7(3)13)9-10-4-5-11-9/h4-6,8H,1-3H3,(H,10,11)(H,12,13)/t8-/m0/s1.
What are the key properties of N-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]acetamide?
N-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]acetamide has a molecular weight of 181.24 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]acetamide is sourced from PubChem (CID 22883888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).