4-(2-amino-1H-imidazol-5-yl)-N-hexylbutanamide;hydrochloride

C13H25ClN4O — CID 24854281

IUPAC4-(2-amino-1H-imidazol-5-yl)-N-hexylbutanamide;hydrochloride
SMILESCCCCCCNC(=O)CCCc1cnc(N)[nH]1.Cl
InChIInChI=1S/C13H24N4O.ClH/c1-2-3-4-5-9-15-12(18)8-6-7-11-10-16-13(14)17-11;/h10H,2-9H2,1H3,(H,15,18)(H3,14,16,17);1H
InChIKeyAKVISARIEVIKEW-UHFFFAOYSA-N
MW288.82 g/mol
LogP2.43
Rot. Bonds9

About 4-(2-amino-1H-imidazol-5-yl)-N-hexylbutanamide;hydrochloride

4-(2-amino-1H-imidazol-5-yl)-N-hexylbutanamide;hydrochloride (PubChem CID 24854281) has the molecular formula C13H25ClN4O and a molecular weight of 288.82 g/mol. Its IUPAC name is 4-(2-amino-1H-imidazol-5-yl)-N-hexylbutanamide;hydrochloride.

Molecular Properties

Compound Name4-(2-amino-1H-imidazol-5-yl)-N-hexylbutanamide;hydrochloride
PubChem CID24854281
Molecular FormulaC13H25ClN4O
Molecular Weight288.82 g/mol
Exact Mass288.17
IUPAC Name4-(2-amino-1H-imidazol-5-yl)-N-hexylbutanamide;hydrochloride
SMILESCCCCCCNC(=O)CCCc1cnc(N)[nH]1.Cl
InChIInChI=1S/C13H24N4O.ClH/c1-2-3-4-5-9-15-12(18)8-6-7-11-10-16-13(14)17-11;/h10H,2-9H2,1H3,(H,15,18)(H3,14,16,17);1H
InChIKeyAKVISARIEVIKEW-UHFFFAOYSA-N
XLogP2.43
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1H-imidazol-5-yl)-N-hexylbutanamide;hydrochloride?
The IUPAC name of 4-(2-amino-1H-imidazol-5-yl)-N-hexylbutanamide;hydrochloride (CID 24854281) is 4-(2-amino-1H-imidazol-5-yl)-N-hexylbutanamide;hydrochloride.
What is the SMILES notation for 4-(2-amino-1H-imidazol-5-yl)-N-hexylbutanamide;hydrochloride?
The canonical SMILES for 4-(2-amino-1H-imidazol-5-yl)-N-hexylbutanamide;hydrochloride is CCCCCCNC(=O)CCCc1cnc(N)[nH]1.Cl.
What is the InChIKey of 4-(2-amino-1H-imidazol-5-yl)-N-hexylbutanamide;hydrochloride?
The InChIKey is AKVISARIEVIKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O.ClH/c1-2-3-4-5-9-15-12(18)8-6-7-11-10-16-13(14)17-11;/h10H,2-9H2,1H3,(H,15,18)(H3,14,16,17);1H.
What are the key properties of 4-(2-amino-1H-imidazol-5-yl)-N-hexylbutanamide;hydrochloride?
4-(2-amino-1H-imidazol-5-yl)-N-hexylbutanamide;hydrochloride has a molecular weight of 288.82 g/mol, XLogP of 2.43, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1H-imidazol-5-yl)-N-hexylbutanamide;hydrochloride is sourced from PubChem (CID 24854281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).