(1-butylimidazol-2-yl)-cyclohexylmethanol

C14H24N2O — CID 102490465

IUPAC(1-butylimidazol-2-yl)-cyclohexylmethanol
SMILESCCCCn1ccnc1C(O)C1CCCCC1
InChIInChI=1S/C14H24N2O/c1-2-3-10-16-11-9-15-14(16)13(17)12-7-5-4-6-8-12/h9,11-13,17H,2-8,10H2,1H3
InChIKeyMYYPMMWZONTVQU-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.30
Rot. Bonds5

About (1-butylimidazol-2-yl)-cyclohexylmethanol

(1-butylimidazol-2-yl)-cyclohexylmethanol (PubChem CID 102490465) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is (1-butylimidazol-2-yl)-cyclohexylmethanol.

Molecular Properties

Compound Name(1-butylimidazol-2-yl)-cyclohexylmethanol
PubChem CID102490465
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name(1-butylimidazol-2-yl)-cyclohexylmethanol
SMILESCCCCn1ccnc1C(O)C1CCCCC1
InChIInChI=1S/C14H24N2O/c1-2-3-10-16-11-9-15-14(16)13(17)12-7-5-4-6-8-12/h9,11-13,17H,2-8,10H2,1H3
InChIKeyMYYPMMWZONTVQU-UHFFFAOYSA-N
XLogP3.30
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-butylimidazol-2-yl)-cyclohexylmethanol?
The IUPAC name of (1-butylimidazol-2-yl)-cyclohexylmethanol (CID 102490465) is (1-butylimidazol-2-yl)-cyclohexylmethanol.
What is the SMILES notation for (1-butylimidazol-2-yl)-cyclohexylmethanol?
The canonical SMILES for (1-butylimidazol-2-yl)-cyclohexylmethanol is CCCCn1ccnc1C(O)C1CCCCC1.
What is the InChIKey of (1-butylimidazol-2-yl)-cyclohexylmethanol?
The InChIKey is MYYPMMWZONTVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-2-3-10-16-11-9-15-14(16)13(17)12-7-5-4-6-8-12/h9,11-13,17H,2-8,10H2,1H3.
What are the key properties of (1-butylimidazol-2-yl)-cyclohexylmethanol?
(1-butylimidazol-2-yl)-cyclohexylmethanol has a molecular weight of 236.36 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butylimidazol-2-yl)-cyclohexylmethanol is sourced from PubChem (CID 102490465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).