4-imidazol-1-ylbutan-1-ol;4-(2-methylimidazol-1-yl)butan-1-ol

C15H26N4O2 — CID 159239141

IUPAC4-imidazol-1-ylbutan-1-ol;4-(2-methylimidazol-1-yl)butan-1-ol
SMILESCc1nccn1CCCCO.OCCCCn1ccnc1
InChIInChI=1S/C8H14N2O.C7H12N2O/c1-8-9-4-6-10(8)5-2-3-7-11;10-6-2-1-4-9-5-3-8-7-9/h4,6,11H,2-3,5,7H2,1H3;3,5,7,10H,1-2,4,6H2
InChIKeyKTVSZGFMBJXTTO-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.62
Rot. Bonds8

About 4-imidazol-1-ylbutan-1-ol;4-(2-methylimidazol-1-yl)butan-1-ol

4-imidazol-1-ylbutan-1-ol;4-(2-methylimidazol-1-yl)butan-1-ol (PubChem CID 159239141) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-imidazol-1-ylbutan-1-ol;4-(2-methylimidazol-1-yl)butan-1-ol.

Molecular Properties

Compound Name4-imidazol-1-ylbutan-1-ol;4-(2-methylimidazol-1-yl)butan-1-ol
PubChem CID159239141
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name4-imidazol-1-ylbutan-1-ol;4-(2-methylimidazol-1-yl)butan-1-ol
SMILESCc1nccn1CCCCO.OCCCCn1ccnc1
InChIInChI=1S/C8H14N2O.C7H12N2O/c1-8-9-4-6-10(8)5-2-3-7-11;10-6-2-1-4-9-5-3-8-7-9/h4,6,11H,2-3,5,7H2,1H3;3,5,7,10H,1-2,4,6H2
InChIKeyKTVSZGFMBJXTTO-UHFFFAOYSA-N
XLogP1.62
TPSA76.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(16-fluorohexadecyl)-2-methylimidazole
CID 164834559
1-hexyl-2-methylimidazole;bis(1-methylimidazole);hydroiodide
CID 175335036
5-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol
CID 107317411
bis(1-decyl-2-methylimidazole);dihydrochloride
CID 173324377
2-methyl-1-octylimidazole;hydrate
CID 174602652
2-imidazol-1-ylethanol
CID 159023310
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
6-imidazol-1-yl-3-methylhexan-1-ol
CID 144712002
7-(2-methylimidazol-1-yl)heptanoic acid
CID 12870527
2-methyl-1-(5-methylhexyl)imidazole
CID 166170762
1-(5,5-dimethylhexyl)-2-methylimidazole
CID 168848889
1-(3-chloropropyl)imidazole;hydrochloride
CID 75539477

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-ylbutan-1-ol;4-(2-methylimidazol-1-yl)butan-1-ol?
The IUPAC name of 4-imidazol-1-ylbutan-1-ol;4-(2-methylimidazol-1-yl)butan-1-ol (CID 159239141) is 4-imidazol-1-ylbutan-1-ol;4-(2-methylimidazol-1-yl)butan-1-ol.
What is the SMILES notation for 4-imidazol-1-ylbutan-1-ol;4-(2-methylimidazol-1-yl)butan-1-ol?
The canonical SMILES for 4-imidazol-1-ylbutan-1-ol;4-(2-methylimidazol-1-yl)butan-1-ol is Cc1nccn1CCCCO.OCCCCn1ccnc1.
What is the InChIKey of 4-imidazol-1-ylbutan-1-ol;4-(2-methylimidazol-1-yl)butan-1-ol?
The InChIKey is KTVSZGFMBJXTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O.C7H12N2O/c1-8-9-4-6-10(8)5-2-3-7-11;10-6-2-1-4-9-5-3-8-7-9/h4,6,11H,2-3,5,7H2,1H3;3,5,7,10H,1-2,4,6H2.
What are the key properties of 4-imidazol-1-ylbutan-1-ol;4-(2-methylimidazol-1-yl)butan-1-ol?
4-imidazol-1-ylbutan-1-ol;4-(2-methylimidazol-1-yl)butan-1-ol has a molecular weight of 294.40 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-ylbutan-1-ol;4-(2-methylimidazol-1-yl)butan-1-ol is sourced from PubChem (CID 159239141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).