(2-hexyl-1H-imidazol-5-yl)methanol

C10H18N2O — CID 15088601

IUPAC(2-hexyl-1H-imidazol-5-yl)methanol
SMILESCCCCCCc1ncc(CO)[nH]1
InChIInChI=1S/C10H18N2O/c1-2-3-4-5-6-10-11-7-9(8-13)12-10/h7,13H,2-6,8H2,1H3,(H,11,12)
InChIKeyRHBNFKBHIGCMDG-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.02
Rot. Bonds6

About (2-hexyl-1H-imidazol-5-yl)methanol

(2-hexyl-1H-imidazol-5-yl)methanol (PubChem CID 15088601) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (2-hexyl-1H-imidazol-5-yl)methanol.

Molecular Properties

Compound Name(2-hexyl-1H-imidazol-5-yl)methanol
PubChem CID15088601
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(2-hexyl-1H-imidazol-5-yl)methanol
SMILESCCCCCCc1ncc(CO)[nH]1
InChIInChI=1S/C10H18N2O/c1-2-3-4-5-6-10-11-7-9(8-13)12-10/h7,13H,2-6,8H2,1H3,(H,11,12)
InChIKeyRHBNFKBHIGCMDG-UHFFFAOYSA-N
XLogP2.02
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (2-hexyl-1H-imidazol-5-yl)methanol?
The IUPAC name of (2-hexyl-1H-imidazol-5-yl)methanol (CID 15088601) is (2-hexyl-1H-imidazol-5-yl)methanol.
What is the SMILES notation for (2-hexyl-1H-imidazol-5-yl)methanol?
The canonical SMILES for (2-hexyl-1H-imidazol-5-yl)methanol is CCCCCCc1ncc(CO)[nH]1.
What is the InChIKey of (2-hexyl-1H-imidazol-5-yl)methanol?
The InChIKey is RHBNFKBHIGCMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-2-3-4-5-6-10-11-7-9(8-13)12-10/h7,13H,2-6,8H2,1H3,(H,11,12).
What are the key properties of (2-hexyl-1H-imidazol-5-yl)methanol?
(2-hexyl-1H-imidazol-5-yl)methanol has a molecular weight of 182.27 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hexyl-1H-imidazol-5-yl)methanol is sourced from PubChem (CID 15088601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).