10-(1H-imidazol-5-yl)decane-1,1-diol

C13H24N2O2 — CID 150316207

IUPAC10-(1H-imidazol-5-yl)decane-1,1-diol
SMILESOC(O)CCCCCCCCCc1cnc[nH]1
InChIInChI=1S/C13H24N2O2/c16-13(17)9-7-5-3-1-2-4-6-8-12-10-14-11-15-12/h10-11,13,16-17H,1-9H2,(H,14,15)
InChIKeyGMQWDLXHKPIEKF-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.38
Rot. Bonds10

About 10-(1H-imidazol-5-yl)decane-1,1-diol

10-(1H-imidazol-5-yl)decane-1,1-diol (PubChem CID 150316207) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 10-(1H-imidazol-5-yl)decane-1,1-diol.

Molecular Properties

Compound Name10-(1H-imidazol-5-yl)decane-1,1-diol
PubChem CID150316207
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name10-(1H-imidazol-5-yl)decane-1,1-diol
SMILESOC(O)CCCCCCCCCc1cnc[nH]1
InChIInChI=1S/C13H24N2O2/c16-13(17)9-7-5-3-1-2-4-6-8-12-10-14-11-15-12/h10-11,13,16-17H,1-9H2,(H,14,15)
InChIKeyGMQWDLXHKPIEKF-UHFFFAOYSA-N
XLogP2.38
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-hexyl-1H-imidazole
CID 14225142
5-[6-[6-(1H-imidazol-5-yl)hexoxy]hexyl]-1H-imidazole
CID 69024759
3-(1H-imidazol-5-yl)-1-sulfanylpropan-1-ol
CID 163552969
4-(1H-imidazol-5-yl)butan-1-amine
CID 13499360
10-(1H-imidazol-5-yl)decan-2-one
CID 170211337
5-(10-pyrrolidin-1-yldecyl)-1H-imidazole
CID 11231249
5-(1H-imidazol-5-yl)-N-(2-methylpropyl)pentan-1-amine
CID 11499453
methyl 6-(1H-imidazol-5-yl)hexanoate
CID 151564733
2-(1H-imidazol-5-yl)ethanol;molecular hydrogen
CID 168881125
5-[4-[6-(1H-imidazol-5-yl)hex-1-en-3-yloxy]hex-5-enyl]-1H-imidazole
CID 69022515
3-(1H-imidazol-5-yl)-N-methylpropan-1-amine
CID 19776442
5-[6-[6-(1H-imidazol-5-yl)-2-phenylhexyl]sulfonyl-5-phenylhexyl]-1H-imidazole
CID 152769384

Frequently Asked Questions

What is the IUPAC name of 10-(1H-imidazol-5-yl)decane-1,1-diol?
The IUPAC name of 10-(1H-imidazol-5-yl)decane-1,1-diol (CID 150316207) is 10-(1H-imidazol-5-yl)decane-1,1-diol.
What is the SMILES notation for 10-(1H-imidazol-5-yl)decane-1,1-diol?
The canonical SMILES for 10-(1H-imidazol-5-yl)decane-1,1-diol is OC(O)CCCCCCCCCc1cnc[nH]1.
What is the InChIKey of 10-(1H-imidazol-5-yl)decane-1,1-diol?
The InChIKey is GMQWDLXHKPIEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c16-13(17)9-7-5-3-1-2-4-6-8-12-10-14-11-15-12/h10-11,13,16-17H,1-9H2,(H,14,15).
What are the key properties of 10-(1H-imidazol-5-yl)decane-1,1-diol?
10-(1H-imidazol-5-yl)decane-1,1-diol has a molecular weight of 240.35 g/mol, XLogP of 2.38, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1H-imidazol-5-yl)decane-1,1-diol is sourced from PubChem (CID 150316207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).