5-(2-methylimidazol-1-yl)-N-propan-2-ylpentanamide

C12H21N3O — CID 54508862

IUPAC5-(2-methylimidazol-1-yl)-N-propan-2-ylpentanamide
SMILESCc1nccn1CCCCC(=O)NC(C)C
InChIInChI=1S/C12H21N3O/c1-10(2)14-12(16)6-4-5-8-15-9-7-13-11(15)3/h7,9-10H,4-6,8H2,1-3H3,(H,14,16)
InChIKeyPAGUTXHEZRTNBK-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.89
Rot. Bonds6

About 5-(2-methylimidazol-1-yl)-N-propan-2-ylpentanamide

5-(2-methylimidazol-1-yl)-N-propan-2-ylpentanamide (PubChem CID 54508862) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-(2-methylimidazol-1-yl)-N-propan-2-ylpentanamide.

Molecular Properties

Compound Name5-(2-methylimidazol-1-yl)-N-propan-2-ylpentanamide
PubChem CID54508862
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name5-(2-methylimidazol-1-yl)-N-propan-2-ylpentanamide
SMILESCc1nccn1CCCCC(=O)NC(C)C
InChIInChI=1S/C12H21N3O/c1-10(2)14-12(16)6-4-5-8-15-9-7-13-11(15)3/h7,9-10H,4-6,8H2,1-3H3,(H,14,16)
InChIKeyPAGUTXHEZRTNBK-UHFFFAOYSA-N
XLogP1.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-7-(2-methylimidazol-1-yl)heptanamide
CID 54522614
7-(2-methylimidazol-1-yl)heptanoic acid
CID 12870527
N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-4-(2-methylimidazol-1-yl)butanamide
CID 95303083
2-methyl-1-(5-methylhexyl)imidazole
CID 166170762
2-methyl-1-(4-methylpentyl)imidazole
CID 20811797
2-methyl-1-(6-methylheptyl)imidazole
CID 176869626
4-(2-methylimidazol-1-yl)-N-[3-[methyl(propan-2-yl)amino]phenyl]butanamide
CID 56785420
4-(2-methylimidazol-1-yl)butan-2-one
CID 43121484
4-(2-methylimidazol-1-yl)-N-(2,4,5-trimethylpyrazol-3-yl)butanamide
CID 56782546
1-butyl-2-methylimidazole;methyl hydrogen carbonate
CID 175255728
ethyl 4-(2-methylimidazol-1-yl)butanoate
CID 3066545
N-(1-tert-butylpyrazol-3-yl)-4-(2-methylimidazol-1-yl)butanamide
CID 56783099

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylimidazol-1-yl)-N-propan-2-ylpentanamide?
The IUPAC name of 5-(2-methylimidazol-1-yl)-N-propan-2-ylpentanamide (CID 54508862) is 5-(2-methylimidazol-1-yl)-N-propan-2-ylpentanamide.
What is the SMILES notation for 5-(2-methylimidazol-1-yl)-N-propan-2-ylpentanamide?
The canonical SMILES for 5-(2-methylimidazol-1-yl)-N-propan-2-ylpentanamide is Cc1nccn1CCCCC(=O)NC(C)C.
What is the InChIKey of 5-(2-methylimidazol-1-yl)-N-propan-2-ylpentanamide?
The InChIKey is PAGUTXHEZRTNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10(2)14-12(16)6-4-5-8-15-9-7-13-11(15)3/h7,9-10H,4-6,8H2,1-3H3,(H,14,16).
What are the key properties of 5-(2-methylimidazol-1-yl)-N-propan-2-ylpentanamide?
5-(2-methylimidazol-1-yl)-N-propan-2-ylpentanamide has a molecular weight of 223.32 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylimidazol-1-yl)-N-propan-2-ylpentanamide is sourced from PubChem (CID 54508862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).