1-(1H-imidazol-2-yl)heptan-2-ol

C10H18N2O — CID 61081438

IUPAC1-(1H-imidazol-2-yl)heptan-2-ol
SMILESCCCCCC(O)Cc1ncc[nH]1
InChIInChI=1S/C10H18N2O/c1-2-3-4-5-9(13)8-10-11-6-7-12-10/h6-7,9,13H,2-5,8H2,1H3,(H,11,12)
InChIKeyRGAKGKMIKNESPW-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.89
Rot. Bonds6

About 1-(1H-imidazol-2-yl)heptan-2-ol

1-(1H-imidazol-2-yl)heptan-2-ol (PubChem CID 61081438) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)heptan-2-ol.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)heptan-2-ol
PubChem CID61081438
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-(1H-imidazol-2-yl)heptan-2-ol
SMILESCCCCCC(O)Cc1ncc[nH]1
InChIInChI=1S/C10H18N2O/c1-2-3-4-5-9(13)8-10-11-6-7-12-10/h6-7,9,13H,2-5,8H2,1H3,(H,11,12)
InChIKeyRGAKGKMIKNESPW-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
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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Related Compounds

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12-Imidazolyl-1-dodecanol
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(Z,8R)-1-(1H-imidazol-2-yl)heptadec-11-en-8-ol
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1-(1H-imidazol-2-yl)propan-1-ol
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2-(1H-imidazol-2-yl)ethan-1-ol hydrochloride
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1-(3-dodecyl-1H-imidazol-3-ium-2-yl)ethanol
CID 3008074
1-(1H-imidazol-2-yl)propan-2-ol
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1-(1H-imidazol-2-yl)propan-2-ol hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)heptan-2-ol?
The IUPAC name of 1-(1H-imidazol-2-yl)heptan-2-ol (CID 61081438) is 1-(1H-imidazol-2-yl)heptan-2-ol.
What is the SMILES notation for 1-(1H-imidazol-2-yl)heptan-2-ol?
The canonical SMILES for 1-(1H-imidazol-2-yl)heptan-2-ol is CCCCCC(O)Cc1ncc[nH]1.
What is the InChIKey of 1-(1H-imidazol-2-yl)heptan-2-ol?
The InChIKey is RGAKGKMIKNESPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-2-3-4-5-9(13)8-10-11-6-7-12-10/h6-7,9,13H,2-5,8H2,1H3,(H,11,12).
What are the key properties of 1-(1H-imidazol-2-yl)heptan-2-ol?
1-(1H-imidazol-2-yl)heptan-2-ol has a molecular weight of 182.27 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)heptan-2-ol is sourced from PubChem (CID 61081438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).