2,2-dimethyl-1-(1-pentylimidazol-2-yl)propan-1-ol

C13H24N2O — CID 102490463

IUPAC2,2-dimethyl-1-(1-pentylimidazol-2-yl)propan-1-ol
SMILESCCCCCn1ccnc1C(O)C(C)(C)C
InChIInChI=1S/C13H24N2O/c1-5-6-7-9-15-10-8-14-12(15)11(16)13(2,3)4/h8,10-11,16H,5-7,9H2,1-4H3
InChIKeyZLDVHKSLJUQLAR-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.15
Rot. Bonds5

About 2,2-dimethyl-1-(1-pentylimidazol-2-yl)propan-1-ol

2,2-dimethyl-1-(1-pentylimidazol-2-yl)propan-1-ol (PubChem CID 102490463) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2,2-dimethyl-1-(1-pentylimidazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-(1-pentylimidazol-2-yl)propan-1-ol
PubChem CID102490463
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2,2-dimethyl-1-(1-pentylimidazol-2-yl)propan-1-ol
SMILESCCCCCn1ccnc1C(O)C(C)(C)C
InChIInChI=1S/C13H24N2O/c1-5-6-7-9-15-10-8-14-12(15)11(16)13(2,3)4/h8,10-11,16H,5-7,9H2,1-4H3
InChIKeyZLDVHKSLJUQLAR-UHFFFAOYSA-N
XLogP3.15
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 9267880
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CID 79047519
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2-(diethylamino)-2-methyl-1-(1-propylimidazol-2-yl)propan-1-ol
CID 79053769
1-(1-ethylimidazol-2-yl)-2,2-dimethylbutan-1-ol
CID 115800026
2-(diethylamino)-2-methyl-1-(1-propylimidazol-2-yl)butan-1-ol
CID 79064029
2-methyl-2-phenyl-1-(1-propylimidazol-2-yl)propan-1-ol
CID 63975212
1-(1-ethylimidazol-2-yl)-3,3-dimethylbutane-1,2-diol
CID 103457324
1-pentylimidazol-2-amine
CID 61354351
bis(1-decyl-2-methylimidazole);dihydrochloride
CID 173324377
2-methyl-1-octylimidazole;hydrate
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CID 174860235

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(1-pentylimidazol-2-yl)propan-1-ol?
The IUPAC name of 2,2-dimethyl-1-(1-pentylimidazol-2-yl)propan-1-ol (CID 102490463) is 2,2-dimethyl-1-(1-pentylimidazol-2-yl)propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-(1-pentylimidazol-2-yl)propan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-(1-pentylimidazol-2-yl)propan-1-ol is CCCCCn1ccnc1C(O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-(1-pentylimidazol-2-yl)propan-1-ol?
The InChIKey is ZLDVHKSLJUQLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-5-6-7-9-15-10-8-14-12(15)11(16)13(2,3)4/h8,10-11,16H,5-7,9H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-(1-pentylimidazol-2-yl)propan-1-ol?
2,2-dimethyl-1-(1-pentylimidazol-2-yl)propan-1-ol has a molecular weight of 224.35 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(1-pentylimidazol-2-yl)propan-1-ol is sourced from PubChem (CID 102490463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).