4-iodo-5-methoxy-1-(6-methyltridecan-6-yl)imidazole

C18H33IN2O — CID 146378503

IUPAC4-iodo-5-methoxy-1-(6-methyltridecan-6-yl)imidazole
SMILESCCCCCCCC(C)(CCCCC)n1cnc(I)c1OC
InChIInChI=1S/C18H33IN2O/c1-5-7-9-10-12-14-18(3,13-11-8-6-2)21-15-20-16(19)17(21)22-4/h15H,5-14H2,1-4H3
InChIKeySGLHGGARBOAYRH-UHFFFAOYSA-N
MW420.38 g/mol
LogP6.15
Rot. Bonds12

About 4-iodo-5-methoxy-1-(6-methyltridecan-6-yl)imidazole

4-iodo-5-methoxy-1-(6-methyltridecan-6-yl)imidazole (PubChem CID 146378503) has the molecular formula C18H33IN2O and a molecular weight of 420.38 g/mol. Its IUPAC name is 4-iodo-5-methoxy-1-(6-methyltridecan-6-yl)imidazole.

Molecular Properties

Compound Name4-iodo-5-methoxy-1-(6-methyltridecan-6-yl)imidazole
PubChem CID146378503
Molecular FormulaC18H33IN2O
Molecular Weight420.38 g/mol
Exact Mass420.16
IUPAC Name4-iodo-5-methoxy-1-(6-methyltridecan-6-yl)imidazole
SMILESCCCCCCCC(C)(CCCCC)n1cnc(I)c1OC
InChIInChI=1S/C18H33IN2O/c1-5-7-9-10-12-14-18(3,13-11-8-6-2)21-15-20-16(19)17(21)22-4/h15H,5-14H2,1-4H3
InChIKeySGLHGGARBOAYRH-UHFFFAOYSA-N
XLogP6.15
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.38
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-iodo-5-methoxy-4-methyl-1-(5-methyldodecan-5-yl)pyrazole
CID 146378909
5-methyl-1-(6-methyltridecan-6-yl)imidazole
CID 146379596
2-fluoro-1-(5-methyldodecan-5-yl)imidazole
CID 146378366
4-(7-methyltetradecan-7-yl)-1,2,4-triazole
CID 167267822
4-fluoro-5-methoxy-2-(6-methyltridecan-6-yl)triazole
CID 146378526
4-bromo-3-(difluoromethyl)-5-methoxy-1-(5-methyldodecan-5-yl)pyrazole
CID 146378987
9-(5-methyldecan-5-yl)purin-6-amine
CID 170323349
5-iodo-4-methyl-1-(5-methyldodecan-5-yl)pyrazole
CID 146376906
3,4-dichloro-5-iodo-1-(5-methyldodecan-5-yl)pyrazole
CID 146378856
4-fluoro-2-methyl-1-(5-methyldodecan-5-yl)imidazole
CID 146378021
5-methoxy-2-(2-methyloctan-2-yl)pyrimidine
CID 126596037
3-bromo-5-chloro-4-methoxy-1-(5-methyldodecan-5-yl)pyrazole
CID 146378756

Frequently Asked Questions

What is the IUPAC name of 4-iodo-5-methoxy-1-(6-methyltridecan-6-yl)imidazole?
The IUPAC name of 4-iodo-5-methoxy-1-(6-methyltridecan-6-yl)imidazole (CID 146378503) is 4-iodo-5-methoxy-1-(6-methyltridecan-6-yl)imidazole.
What is the SMILES notation for 4-iodo-5-methoxy-1-(6-methyltridecan-6-yl)imidazole?
The canonical SMILES for 4-iodo-5-methoxy-1-(6-methyltridecan-6-yl)imidazole is CCCCCCCC(C)(CCCCC)n1cnc(I)c1OC.
What is the InChIKey of 4-iodo-5-methoxy-1-(6-methyltridecan-6-yl)imidazole?
The InChIKey is SGLHGGARBOAYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33IN2O/c1-5-7-9-10-12-14-18(3,13-11-8-6-2)21-15-20-16(19)17(21)22-4/h15H,5-14H2,1-4H3.
What are the key properties of 4-iodo-5-methoxy-1-(6-methyltridecan-6-yl)imidazole?
4-iodo-5-methoxy-1-(6-methyltridecan-6-yl)imidazole has a molecular weight of 420.38 g/mol, XLogP of 6.15, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-5-methoxy-1-(6-methyltridecan-6-yl)imidazole is sourced from PubChem (CID 146378503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).