5-[4-(propylaminomethyl)imidazol-1-yl]pentanamide

C12H22N4O — CID 114281742

IUPAC5-[4-(propylaminomethyl)imidazol-1-yl]pentanamide
SMILESCCCNCc1cn(CCCCC(N)=O)cn1
InChIInChI=1S/C12H22N4O/c1-2-6-14-8-11-9-16(10-15-11)7-4-3-5-12(13)17/h9-10,14H,2-8H2,1H3,(H2,13,17)
InChIKeyYSIKHJCOELLMRG-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.04
Rot. Bonds9

About 5-[4-(propylaminomethyl)imidazol-1-yl]pentanamide

5-[4-(propylaminomethyl)imidazol-1-yl]pentanamide (PubChem CID 114281742) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-[4-(propylaminomethyl)imidazol-1-yl]pentanamide.

Molecular Properties

Compound Name5-[4-(propylaminomethyl)imidazol-1-yl]pentanamide
PubChem CID114281742
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name5-[4-(propylaminomethyl)imidazol-1-yl]pentanamide
SMILESCCCNCc1cn(CCCCC(N)=O)cn1
InChIInChI=1S/C12H22N4O/c1-2-6-14-8-11-9-16(10-15-11)7-4-3-5-12(13)17/h9-10,14H,2-8H2,1H3,(H2,13,17)
InChIKeyYSIKHJCOELLMRG-UHFFFAOYSA-N
XLogP1.04
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 5-[4-(propylaminomethyl)imidazol-1-yl]pentanamide?
The IUPAC name of 5-[4-(propylaminomethyl)imidazol-1-yl]pentanamide (CID 114281742) is 5-[4-(propylaminomethyl)imidazol-1-yl]pentanamide.
What is the SMILES notation for 5-[4-(propylaminomethyl)imidazol-1-yl]pentanamide?
The canonical SMILES for 5-[4-(propylaminomethyl)imidazol-1-yl]pentanamide is CCCNCc1cn(CCCCC(N)=O)cn1.
What is the InChIKey of 5-[4-(propylaminomethyl)imidazol-1-yl]pentanamide?
The InChIKey is YSIKHJCOELLMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-2-6-14-8-11-9-16(10-15-11)7-4-3-5-12(13)17/h9-10,14H,2-8H2,1H3,(H2,13,17).
What are the key properties of 5-[4-(propylaminomethyl)imidazol-1-yl]pentanamide?
5-[4-(propylaminomethyl)imidazol-1-yl]pentanamide has a molecular weight of 238.33 g/mol, XLogP of 1.04, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(propylaminomethyl)imidazol-1-yl]pentanamide is sourced from PubChem (CID 114281742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).