(2-heptadecyl-5-methyl-1H-imidazol-4-yl)methanol

C22H42N2O — CID 22961594

IUPAC(2-heptadecyl-5-methyl-1H-imidazol-4-yl)methanol
SMILESCCCCCCCCCCCCCCCCCc1nc(CO)c(C)[nH]1
InChIInChI=1S/C22H42N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23-20(2)21(19-25)24-22/h25H,3-19H2,1-2H3,(H,23,24)
InChIKeyZHGACDTWDPSNOZ-UHFFFAOYSA-N
MW350.59 g/mol
LogP6.62
Rot. Bonds17

About (2-heptadecyl-5-methyl-1H-imidazol-4-yl)methanol

(2-heptadecyl-5-methyl-1H-imidazol-4-yl)methanol (PubChem CID 22961594) has the molecular formula C22H42N2O and a molecular weight of 350.59 g/mol. Its IUPAC name is (2-heptadecyl-5-methyl-1H-imidazol-4-yl)methanol.

Molecular Properties

Compound Name(2-heptadecyl-5-methyl-1H-imidazol-4-yl)methanol
PubChem CID22961594
Molecular FormulaC22H42N2O
Molecular Weight350.59 g/mol
Exact Mass350.33
IUPAC Name(2-heptadecyl-5-methyl-1H-imidazol-4-yl)methanol
SMILESCCCCCCCCCCCCCCCCCc1nc(CO)c(C)[nH]1
InChIInChI=1S/C22H42N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23-20(2)21(19-25)24-22/h25H,3-19H2,1-2H3,(H,23,24)
InChIKeyZHGACDTWDPSNOZ-UHFFFAOYSA-N
XLogP6.62
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.59
LogP ≤ 56.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-heptadecyl-5-methyl-1H-imidazol-4-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-heptadecyl-5-methyl-1H-imidazol-4-yl)methanol?
The IUPAC name of (2-heptadecyl-5-methyl-1H-imidazol-4-yl)methanol (CID 22961594) is (2-heptadecyl-5-methyl-1H-imidazol-4-yl)methanol.
What is the SMILES notation for (2-heptadecyl-5-methyl-1H-imidazol-4-yl)methanol?
The canonical SMILES for (2-heptadecyl-5-methyl-1H-imidazol-4-yl)methanol is CCCCCCCCCCCCCCCCCc1nc(CO)c(C)[nH]1.
What is the InChIKey of (2-heptadecyl-5-methyl-1H-imidazol-4-yl)methanol?
The InChIKey is ZHGACDTWDPSNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23-20(2)21(19-25)24-22/h25H,3-19H2,1-2H3,(H,23,24).
What are the key properties of (2-heptadecyl-5-methyl-1H-imidazol-4-yl)methanol?
(2-heptadecyl-5-methyl-1H-imidazol-4-yl)methanol has a molecular weight of 350.59 g/mol, XLogP of 6.62, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-heptadecyl-5-methyl-1H-imidazol-4-yl)methanol is sourced from PubChem (CID 22961594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).