4-(2-amino-1H-imidazol-5-yl)-N-dodecylbutanamide

C19H36N4O — CID 24816393

IUPAC4-(2-amino-1H-imidazol-5-yl)-N-dodecylbutanamide
SMILESCCCCCCCCCCCCNC(=O)CCCc1cnc(N)[nH]1
InChIInChI=1S/C19H36N4O/c1-2-3-4-5-6-7-8-9-10-11-15-21-18(24)14-12-13-17-16-22-19(20)23-17/h16H,2-15H2,1H3,(H,21,24)(H3,20,22,23)
InChIKeyMSTCTFKEVUCZLG-UHFFFAOYSA-N
MW336.52 g/mol
LogP4.35
Rot. Bonds15

About 4-(2-amino-1H-imidazol-5-yl)-N-dodecylbutanamide

4-(2-amino-1H-imidazol-5-yl)-N-dodecylbutanamide (PubChem CID 24816393) has the molecular formula C19H36N4O and a molecular weight of 336.52 g/mol. Its IUPAC name is 4-(2-amino-1H-imidazol-5-yl)-N-dodecylbutanamide.

Molecular Properties

Compound Name4-(2-amino-1H-imidazol-5-yl)-N-dodecylbutanamide
PubChem CID24816393
Molecular FormulaC19H36N4O
Molecular Weight336.52 g/mol
Exact Mass336.29
IUPAC Name4-(2-amino-1H-imidazol-5-yl)-N-dodecylbutanamide
SMILESCCCCCCCCCCCCNC(=O)CCCc1cnc(N)[nH]1
InChIInChI=1S/C19H36N4O/c1-2-3-4-5-6-7-8-9-10-11-15-21-18(24)14-12-13-17-16-22-19(20)23-17/h16H,2-15H2,1H3,(H,21,24)(H3,20,22,23)
InChIKeyMSTCTFKEVUCZLG-UHFFFAOYSA-N
XLogP4.35
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 54.35
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-dodecylbutanamide?
The IUPAC name of 4-(2-amino-1H-imidazol-5-yl)-N-dodecylbutanamide (CID 24816393) is 4-(2-amino-1H-imidazol-5-yl)-N-dodecylbutanamide.
What is the SMILES notation for 4-(2-amino-1H-imidazol-5-yl)-N-dodecylbutanamide?
The canonical SMILES for 4-(2-amino-1H-imidazol-5-yl)-N-dodecylbutanamide is CCCCCCCCCCCCNC(=O)CCCc1cnc(N)[nH]1.
What is the InChIKey of 4-(2-amino-1H-imidazol-5-yl)-N-dodecylbutanamide?
The InChIKey is MSTCTFKEVUCZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O/c1-2-3-4-5-6-7-8-9-10-11-15-21-18(24)14-12-13-17-16-22-19(20)23-17/h16H,2-15H2,1H3,(H,21,24)(H3,20,22,23).
What are the key properties of 4-(2-amino-1H-imidazol-5-yl)-N-dodecylbutanamide?
4-(2-amino-1H-imidazol-5-yl)-N-dodecylbutanamide has a molecular weight of 336.52 g/mol, XLogP of 4.35, 15 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-dodecylbutanamide is sourced from PubChem (CID 24816393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).