2-heptadecyl-1-methyl-4,5-dihydroimidazole

C21H42N2 — CID 566930

IUPAC2-heptadecyl-1-methyl-4,5-dihydroimidazole
SMILESCCCCCCCCCCCCCCCCCC1=NCCN1C
InChIInChI=1S/C21H42N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22-19-20-23(21)2/h3-20H2,1-2H3
InChIKeyYRNGPTLHMKVTIV-UHFFFAOYSA-N
MW322.58 g/mol
LogP6.59
Rot. Bonds16

About 2-heptadecyl-1-methyl-4,5-dihydroimidazole

2-heptadecyl-1-methyl-4,5-dihydroimidazole (PubChem CID 566930) has the molecular formula C21H42N2 and a molecular weight of 322.58 g/mol. Its IUPAC name is 2-heptadecyl-1-methyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-heptadecyl-1-methyl-4,5-dihydroimidazole
PubChem CID566930
Molecular FormulaC21H42N2
Molecular Weight322.58 g/mol
Exact Mass322.33
IUPAC Name2-heptadecyl-1-methyl-4,5-dihydroimidazole
SMILESCCCCCCCCCCCCCCCCCC1=NCCN1C
InChIInChI=1S/C21H42N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22-19-20-23(21)2/h3-20H2,1-2H3
InChIKeyYRNGPTLHMKVTIV-UHFFFAOYSA-N
XLogP6.59
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.58
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 7744
CID 7744
CID 52888
CID 52888
CID 24740524
CID 24740524
CID 52887
CID 52887
CID 45192
CID 45192
CID 76374
CID 76374
CID 224765
CID 224765
CID 30719
CID 30719
CID 66767
CID 66767
CID 220523
CID 220523
CID 67895736
CID 67895736
CID 92689
CID 92689

Frequently Asked Questions

What is the IUPAC name of 2-heptadecyl-1-methyl-4,5-dihydroimidazole?
The IUPAC name of 2-heptadecyl-1-methyl-4,5-dihydroimidazole (CID 566930) is 2-heptadecyl-1-methyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-heptadecyl-1-methyl-4,5-dihydroimidazole?
The canonical SMILES for 2-heptadecyl-1-methyl-4,5-dihydroimidazole is CCCCCCCCCCCCCCCCCC1=NCCN1C.
What is the InChIKey of 2-heptadecyl-1-methyl-4,5-dihydroimidazole?
The InChIKey is YRNGPTLHMKVTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22-19-20-23(21)2/h3-20H2,1-2H3.
What are the key properties of 2-heptadecyl-1-methyl-4,5-dihydroimidazole?
2-heptadecyl-1-methyl-4,5-dihydroimidazole has a molecular weight of 322.58 g/mol, XLogP of 6.59, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptadecyl-1-methyl-4,5-dihydroimidazole is sourced from PubChem (CID 566930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).