5-(2-amino-1H-imidazol-5-yl)-N-hexylpentanamide

C14H26N4O — CID 25178089

IUPAC5-(2-amino-1H-imidazol-5-yl)-N-hexylpentanamide
SMILESCCCCCCNC(=O)CCCCc1cnc(N)[nH]1
InChIInChI=1S/C14H26N4O/c1-2-3-4-7-10-16-13(19)9-6-5-8-12-11-17-14(15)18-12/h11H,2-10H2,1H3,(H,16,19)(H3,15,17,18)
InChIKeyYIQYJKBRADRSQV-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.40
Rot. Bonds10

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

5-(2-amino-1H-imidazol-5-yl)-N-hexylpentanamide (PubChem CID 25178089) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 5-(2-amino-1H-imidazol-5-yl)-N-hexylpentanamide.

Molecular Properties

Compound Name5-(2-amino-1H-imidazol-5-yl)-N-hexylpentanamide
PubChem CID25178089
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name5-(2-amino-1H-imidazol-5-yl)-N-hexylpentanamide
SMILESCCCCCCNC(=O)CCCCc1cnc(N)[nH]1
InChIInChI=1S/C14H26N4O/c1-2-3-4-7-10-16-13(19)9-6-5-8-12-11-17-14(15)18-12/h11H,2-10H2,1H3,(H,16,19)(H3,15,17,18)
InChIKeyYIQYJKBRADRSQV-UHFFFAOYSA-N
XLogP2.40
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.40
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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Related Compounds

5-(2-amino-1H-imidazol-5-yl)-N-hexylpentanamide;hydrochloride
CID 25178088
5-heptadecyl-1H-imidazol-2-amine
CID 25178085
N-[4-(2-amino-1H-imidazol-5-yl)tridecyl]butanamide
CID 175568341
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1H-imidazol-5-yl)-N-hexylpentanamide?
The IUPAC name of 5-(2-amino-1H-imidazol-5-yl)-N-hexylpentanamide (CID 25178089) is 5-(2-amino-1H-imidazol-5-yl)-N-hexylpentanamide.
What is the SMILES notation for 5-(2-amino-1H-imidazol-5-yl)-N-hexylpentanamide?
The canonical SMILES for 5-(2-amino-1H-imidazol-5-yl)-N-hexylpentanamide is CCCCCCNC(=O)CCCCc1cnc(N)[nH]1.
What is the InChIKey of 5-(2-amino-1H-imidazol-5-yl)-N-hexylpentanamide?
The InChIKey is YIQYJKBRADRSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-2-3-4-7-10-16-13(19)9-6-5-8-12-11-17-14(15)18-12/h11H,2-10H2,1H3,(H,16,19)(H3,15,17,18).
What are the key properties of 5-(2-amino-1H-imidazol-5-yl)-N-hexylpentanamide?
5-(2-amino-1H-imidazol-5-yl)-N-hexylpentanamide has a molecular weight of 266.39 g/mol, XLogP of 2.40, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-1H-imidazol-5-yl)-N-hexylpentanamide is sourced from PubChem (CID 25178089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).