2-imidazol-1-yl-3,7,11-trimethyldodecane-1,3-diol

C18H34N2O2 — CID 19928720

IUPAC2-imidazol-1-yl-3,7,11-trimethyldodecane-1,3-diol
SMILESCC(C)CCCC(C)CCCC(C)(O)C(CO)n1ccnc1
InChIInChI=1S/C18H34N2O2/c1-15(2)7-5-8-16(3)9-6-10-18(4,22)17(13-21)20-12-11-19-14-20/h11-12,14-17,21-22H,5-10,13H2,1-4H3
InChIKeyLSGJPDGKKKKSKY-UHFFFAOYSA-N
MW310.48 g/mol
LogP3.80
Rot. Bonds11

About 2-imidazol-1-yl-3,7,11-trimethyldodecane-1,3-diol

2-imidazol-1-yl-3,7,11-trimethyldodecane-1,3-diol (PubChem CID 19928720) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is 2-imidazol-1-yl-3,7,11-trimethyldodecane-1,3-diol.

Molecular Properties

Compound Name2-imidazol-1-yl-3,7,11-trimethyldodecane-1,3-diol
PubChem CID19928720
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Name2-imidazol-1-yl-3,7,11-trimethyldodecane-1,3-diol
SMILESCC(C)CCCC(C)CCCC(C)(O)C(CO)n1ccnc1
InChIInChI=1S/C18H34N2O2/c1-15(2)7-5-8-16(3)9-6-10-18(4,22)17(13-21)20-12-11-19-14-20/h11-12,14-17,21-22H,5-10,13H2,1-4H3
InChIKeyLSGJPDGKKKKSKY-UHFFFAOYSA-N
XLogP3.80
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-3,7,11-trimethyldodecane-1,3-diol?
The IUPAC name of 2-imidazol-1-yl-3,7,11-trimethyldodecane-1,3-diol (CID 19928720) is 2-imidazol-1-yl-3,7,11-trimethyldodecane-1,3-diol.
What is the SMILES notation for 2-imidazol-1-yl-3,7,11-trimethyldodecane-1,3-diol?
The canonical SMILES for 2-imidazol-1-yl-3,7,11-trimethyldodecane-1,3-diol is CC(C)CCCC(C)CCCC(C)(O)C(CO)n1ccnc1.
What is the InChIKey of 2-imidazol-1-yl-3,7,11-trimethyldodecane-1,3-diol?
The InChIKey is LSGJPDGKKKKSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-15(2)7-5-8-16(3)9-6-10-18(4,22)17(13-21)20-12-11-19-14-20/h11-12,14-17,21-22H,5-10,13H2,1-4H3.
What are the key properties of 2-imidazol-1-yl-3,7,11-trimethyldodecane-1,3-diol?
2-imidazol-1-yl-3,7,11-trimethyldodecane-1,3-diol has a molecular weight of 310.48 g/mol, XLogP of 3.80, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-3,7,11-trimethyldodecane-1,3-diol is sourced from PubChem (CID 19928720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).