1-[5-imidazol-1-yl-3-(iodomethyl)pentyl]imidazole

C12H17IN4 — CID 174988000

IUPAC1-[5-imidazol-1-yl-3-(iodomethyl)pentyl]imidazole
SMILESICC(CCn1ccnc1)CCn1ccnc1
InChIInChI=1S/C12H17IN4/c13-9-12(1-5-16-7-3-14-10-16)2-6-17-8-4-15-11-17/h3-4,7-8,10-12H,1-2,5-6,9H2
InChIKeyLUMZEKHTDHUSHN-UHFFFAOYSA-N
MW344.20 g/mol
LogP2.61
Rot. Bonds7

About 1-[5-imidazol-1-yl-3-(iodomethyl)pentyl]imidazole

1-[5-imidazol-1-yl-3-(iodomethyl)pentyl]imidazole (PubChem CID 174988000) has the molecular formula C12H17IN4 and a molecular weight of 344.20 g/mol. Its IUPAC name is 1-[5-imidazol-1-yl-3-(iodomethyl)pentyl]imidazole.

Molecular Properties

Compound Name1-[5-imidazol-1-yl-3-(iodomethyl)pentyl]imidazole
PubChem CID174988000
Molecular FormulaC12H17IN4
Molecular Weight344.20 g/mol
Exact Mass344.05
IUPAC Name1-[5-imidazol-1-yl-3-(iodomethyl)pentyl]imidazole
SMILESICC(CCn1ccnc1)CCn1ccnc1
InChIInChI=1S/C12H17IN4/c13-9-12(1-5-16-7-3-14-10-16)2-6-17-8-4-15-11-17/h3-4,7-8,10-12H,1-2,5-6,9H2
InChIKeyLUMZEKHTDHUSHN-UHFFFAOYSA-N
XLogP2.61
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3,6-dimethylheptyl)imidazole
CID 143241697
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
2-imidazol-1-ylethanol
CID 159023310
1-(2-methoxyethyl)imidazole
CID 14366840
1-(2-chloroethyl)imidazole;hydrochloride
CID 2757503
1-(7-methyloctyl)imidazole
CID 59001100
carbonic acid;1-(3-methylpentyl)imidazole
CID 175400753
4-imidazol-1-ylbutanenitrile
CID 10855507
methyl 2-amino-4-imidazol-1-ylbutanoate
CID 63041628
1-(5-imidazol-1-ylpentan-2-yl)imidazole
CID 174937181
6-imidazol-1-ylhexan-3-ol
CID 106802503
2-fluoro-5-imidazol-1-ylpentanal
CID 55266749

Frequently Asked Questions

What is the IUPAC name of 1-[5-imidazol-1-yl-3-(iodomethyl)pentyl]imidazole?
The IUPAC name of 1-[5-imidazol-1-yl-3-(iodomethyl)pentyl]imidazole (CID 174988000) is 1-[5-imidazol-1-yl-3-(iodomethyl)pentyl]imidazole.
What is the SMILES notation for 1-[5-imidazol-1-yl-3-(iodomethyl)pentyl]imidazole?
The canonical SMILES for 1-[5-imidazol-1-yl-3-(iodomethyl)pentyl]imidazole is ICC(CCn1ccnc1)CCn1ccnc1.
What is the InChIKey of 1-[5-imidazol-1-yl-3-(iodomethyl)pentyl]imidazole?
The InChIKey is LUMZEKHTDHUSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IN4/c13-9-12(1-5-16-7-3-14-10-16)2-6-17-8-4-15-11-17/h3-4,7-8,10-12H,1-2,5-6,9H2.
What are the key properties of 1-[5-imidazol-1-yl-3-(iodomethyl)pentyl]imidazole?
1-[5-imidazol-1-yl-3-(iodomethyl)pentyl]imidazole has a molecular weight of 344.20 g/mol, XLogP of 2.61, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-imidazol-1-yl-3-(iodomethyl)pentyl]imidazole is sourced from PubChem (CID 174988000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).