[2-heptadecyl-5-(hydroxymethyl)-1-methylimidazol-4-yl]methanol

C23H44N2O2 — CID 141279049

IUPAC[2-heptadecyl-5-(hydroxymethyl)-1-methylimidazol-4-yl]methanol
SMILESCCCCCCCCCCCCCCCCCc1nc(CO)c(CO)n1C
InChIInChI=1S/C23H44N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-24-21(19-26)22(20-27)25(23)2/h26-27H,3-20H2,1-2H3
InChIKeyHGRFNTCBRPHEQG-UHFFFAOYSA-N
MW380.62 g/mol
LogP5.82
Rot. Bonds18

About [2-heptadecyl-5-(hydroxymethyl)-1-methylimidazol-4-yl]methanol

[2-heptadecyl-5-(hydroxymethyl)-1-methylimidazol-4-yl]methanol (PubChem CID 141279049) has the molecular formula C23H44N2O2 and a molecular weight of 380.62 g/mol. Its IUPAC name is [2-heptadecyl-5-(hydroxymethyl)-1-methylimidazol-4-yl]methanol.

Molecular Properties

Compound Name[2-heptadecyl-5-(hydroxymethyl)-1-methylimidazol-4-yl]methanol
PubChem CID141279049
Molecular FormulaC23H44N2O2
Molecular Weight380.62 g/mol
Exact Mass380.34
IUPAC Name[2-heptadecyl-5-(hydroxymethyl)-1-methylimidazol-4-yl]methanol
SMILESCCCCCCCCCCCCCCCCCc1nc(CO)c(CO)n1C
InChIInChI=1S/C23H44N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-24-21(19-26)22(20-27)25(23)2/h26-27H,3-20H2,1-2H3
InChIKeyHGRFNTCBRPHEQG-UHFFFAOYSA-N
XLogP5.82
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.62
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-heptyl-3-methylimidazol-4-ol
CID 70398269
(5-hexyl-4-methyl-1,2,4-triazol-3-yl)methanamine
CID 114754387
2-dodecyl-1,4-dimethylbenzimidazole
CID 22734767
2-dodecyl-1-(2-hydroxyethyl)imidazol-4-ol;hydrobromide
CID 175190405
3-methyl-2-pentylimidazo[4,5-b]quinoxaline
CID 69396576
[5-(hydroxymethyl)-1-methyl-2-methylsulfinylimidazol-4-yl]methanol
CID 14909410
2,4-didecyl-1-methylimidazole
CID 68813551
3,4-dimethyl-5-pentyl-1,2,4-triazole
CID 91086402
3-butyl-2-ethyl-5-heptylimidazol-4-amine
CID 63469087
copper;1,2,4,5-tetrabutylimidazole
CID 175477014
5-hexyl-2,3-dimethylimidazol-4-amine
CID 62226133
1-methyl-2-nonylimidazole
CID 67393993

Frequently Asked Questions

What is the IUPAC name of [2-heptadecyl-5-(hydroxymethyl)-1-methylimidazol-4-yl]methanol?
The IUPAC name of [2-heptadecyl-5-(hydroxymethyl)-1-methylimidazol-4-yl]methanol (CID 141279049) is [2-heptadecyl-5-(hydroxymethyl)-1-methylimidazol-4-yl]methanol.
What is the SMILES notation for [2-heptadecyl-5-(hydroxymethyl)-1-methylimidazol-4-yl]methanol?
The canonical SMILES for [2-heptadecyl-5-(hydroxymethyl)-1-methylimidazol-4-yl]methanol is CCCCCCCCCCCCCCCCCc1nc(CO)c(CO)n1C.
What is the InChIKey of [2-heptadecyl-5-(hydroxymethyl)-1-methylimidazol-4-yl]methanol?
The InChIKey is HGRFNTCBRPHEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-24-21(19-26)22(20-27)25(23)2/h26-27H,3-20H2,1-2H3.
What are the key properties of [2-heptadecyl-5-(hydroxymethyl)-1-methylimidazol-4-yl]methanol?
[2-heptadecyl-5-(hydroxymethyl)-1-methylimidazol-4-yl]methanol has a molecular weight of 380.62 g/mol, XLogP of 5.82, 18 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-heptadecyl-5-(hydroxymethyl)-1-methylimidazol-4-yl]methanol is sourced from PubChem (CID 141279049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).