dicyclopropyl-(1-pentylimidazol-2-yl)methanol

C15H24N2O — CID 102490461

IUPACdicyclopropyl-(1-pentylimidazol-2-yl)methanol
SMILESCCCCCn1ccnc1C(O)(C1CC1)C1CC1
InChIInChI=1S/C15H24N2O/c1-2-3-4-10-17-11-9-16-14(17)15(18,12-5-6-12)13-7-8-13/h9,11-13,18H,2-8,10H2,1H3
InChIKeyICIFDRLFLLAAKC-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.08
Rot. Bonds7

About dicyclopropyl-(1-pentylimidazol-2-yl)methanol

dicyclopropyl-(1-pentylimidazol-2-yl)methanol (PubChem CID 102490461) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is dicyclopropyl-(1-pentylimidazol-2-yl)methanol.

Molecular Properties

Compound Namedicyclopropyl-(1-pentylimidazol-2-yl)methanol
PubChem CID102490461
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Namedicyclopropyl-(1-pentylimidazol-2-yl)methanol
SMILESCCCCCn1ccnc1C(O)(C1CC1)C1CC1
InChIInChI=1S/C15H24N2O/c1-2-3-4-10-17-11-9-16-14(17)15(18,12-5-6-12)13-7-8-13/h9,11-13,18H,2-8,10H2,1H3
InChIKeyICIFDRLFLLAAKC-UHFFFAOYSA-N
XLogP3.08
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.08
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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Frequently Asked Questions

What is the IUPAC name of dicyclopropyl-(1-pentylimidazol-2-yl)methanol?
The IUPAC name of dicyclopropyl-(1-pentylimidazol-2-yl)methanol (CID 102490461) is dicyclopropyl-(1-pentylimidazol-2-yl)methanol.
What is the SMILES notation for dicyclopropyl-(1-pentylimidazol-2-yl)methanol?
The canonical SMILES for dicyclopropyl-(1-pentylimidazol-2-yl)methanol is CCCCCn1ccnc1C(O)(C1CC1)C1CC1.
What is the InChIKey of dicyclopropyl-(1-pentylimidazol-2-yl)methanol?
The InChIKey is ICIFDRLFLLAAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-3-4-10-17-11-9-16-14(17)15(18,12-5-6-12)13-7-8-13/h9,11-13,18H,2-8,10H2,1H3.
What are the key properties of dicyclopropyl-(1-pentylimidazol-2-yl)methanol?
dicyclopropyl-(1-pentylimidazol-2-yl)methanol has a molecular weight of 248.37 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclopropyl-(1-pentylimidazol-2-yl)methanol is sourced from PubChem (CID 102490461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).