[1,3-bis(2-methylpropyl)-2H-imidazol-2-yl]methanediol

C12H24N2O2 — CID 118636762

IUPAC[1,3-bis(2-methylpropyl)-2H-imidazol-2-yl]methanediol
SMILESCC(C)CN1C=CN(CC(C)C)C1C(O)O
InChIInChI=1S/C12H24N2O2/c1-9(2)7-13-5-6-14(8-10(3)4)11(13)12(15)16/h5-6,9-12,15-16H,7-8H2,1-4H3
InChIKeyJXSLMGHJNHMCAQ-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.02
Rot. Bonds5

About [1,3-bis(2-methylpropyl)-2H-imidazol-2-yl]methanediol

[1,3-bis(2-methylpropyl)-2H-imidazol-2-yl]methanediol (PubChem CID 118636762) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is [1,3-bis(2-methylpropyl)-2H-imidazol-2-yl]methanediol.

Molecular Properties

Compound Name[1,3-bis(2-methylpropyl)-2H-imidazol-2-yl]methanediol
PubChem CID118636762
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name[1,3-bis(2-methylpropyl)-2H-imidazol-2-yl]methanediol
SMILESCC(C)CN1C=CN(CC(C)C)C1C(O)O
InChIInChI=1S/C12H24N2O2/c1-9(2)7-13-5-6-14(8-10(3)4)11(13)12(15)16/h5-6,9-12,15-16H,7-8H2,1-4H3
InChIKeyJXSLMGHJNHMCAQ-UHFFFAOYSA-N
XLogP1.02
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1,3-bis(2-methylpropyl)-2H-imidazol-2-yl]methanediol?
The IUPAC name of [1,3-bis(2-methylpropyl)-2H-imidazol-2-yl]methanediol (CID 118636762) is [1,3-bis(2-methylpropyl)-2H-imidazol-2-yl]methanediol.
What is the SMILES notation for [1,3-bis(2-methylpropyl)-2H-imidazol-2-yl]methanediol?
The canonical SMILES for [1,3-bis(2-methylpropyl)-2H-imidazol-2-yl]methanediol is CC(C)CN1C=CN(CC(C)C)C1C(O)O.
What is the InChIKey of [1,3-bis(2-methylpropyl)-2H-imidazol-2-yl]methanediol?
The InChIKey is JXSLMGHJNHMCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(2)7-13-5-6-14(8-10(3)4)11(13)12(15)16/h5-6,9-12,15-16H,7-8H2,1-4H3.
What are the key properties of [1,3-bis(2-methylpropyl)-2H-imidazol-2-yl]methanediol?
[1,3-bis(2-methylpropyl)-2H-imidazol-2-yl]methanediol has a molecular weight of 228.34 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-bis(2-methylpropyl)-2H-imidazol-2-yl]methanediol is sourced from PubChem (CID 118636762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).