1-(2-chloroheptyl)-3-methyl-2H-imidazole;hydrochloride

C11H22Cl2N2 — CID 175593692

IUPAC1-(2-chloroheptyl)-3-methyl-2H-imidazole;hydrochloride
SMILESCCCCCC(Cl)CN1C=CN(C)C1.Cl
InChIInChI=1S/C11H21ClN2.ClH/c1-3-4-5-6-11(12)9-14-8-7-13(2)10-14;/h7-8,11H,3-6,9-10H2,1-2H3;1H
InChIKeyDOWSCBZRRYEYIZ-UHFFFAOYSA-N
MW253.22 g/mol
LogP3.27
Rot. Bonds6

About 1-(2-chloroheptyl)-3-methyl-2H-imidazole;hydrochloride

1-(2-chloroheptyl)-3-methyl-2H-imidazole;hydrochloride (PubChem CID 175593692) has the molecular formula C11H22Cl2N2 and a molecular weight of 253.22 g/mol. Its IUPAC name is 1-(2-chloroheptyl)-3-methyl-2H-imidazole;hydrochloride.

Molecular Properties

Compound Name1-(2-chloroheptyl)-3-methyl-2H-imidazole;hydrochloride
PubChem CID175593692
Molecular FormulaC11H22Cl2N2
Molecular Weight253.22 g/mol
Exact Mass252.12
IUPAC Name1-(2-chloroheptyl)-3-methyl-2H-imidazole;hydrochloride
SMILESCCCCCC(Cl)CN1C=CN(C)C1.Cl
InChIInChI=1S/C11H21ClN2.ClH/c1-3-4-5-6-11(12)9-14-8-7-13(2)10-14;/h7-8,11H,3-6,9-10H2,1-2H3;1H
InChIKeyDOWSCBZRRYEYIZ-UHFFFAOYSA-N
XLogP3.27
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-tridecyl-2H-imidazole;hydrochloride
CID 175556841
1-methyl-3-octadecyl-2H-imidazole;hydrochloride
CID 173017387
1-methyl-3-nonadecyl-2H-imidazole
CID 69396698
1-hexyl-3-methyl-2H-imidazole
CID 18513318
1-butyl-3-methyl-2H-imidazole
CID 10265934
1-methyl-3-octadecan-8-yl-2H-imidazole
CID 174675256
1-methyl-3-octyl-2H-imidazole;hydrate
CID 172807129
aluminum;1-butyl-3-methyl-2H-imidazole;trichloride;hydrochloride
CID 172848443
1-decyl-3-methyl-2H-imidazole;hydrofluoride
CID 174870192
dichlorozinc;1-hexyl-3-methyl-2H-imidazole
CID 174760028
1-methyl-3-undecyl-2H-imidazole;tetrachlorotitanium
CID 162018722
1-butyl-3-methyl-2H-imidazole;molybdenum
CID 174105929

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroheptyl)-3-methyl-2H-imidazole;hydrochloride?
The IUPAC name of 1-(2-chloroheptyl)-3-methyl-2H-imidazole;hydrochloride (CID 175593692) is 1-(2-chloroheptyl)-3-methyl-2H-imidazole;hydrochloride.
What is the SMILES notation for 1-(2-chloroheptyl)-3-methyl-2H-imidazole;hydrochloride?
The canonical SMILES for 1-(2-chloroheptyl)-3-methyl-2H-imidazole;hydrochloride is CCCCCC(Cl)CN1C=CN(C)C1.Cl.
What is the InChIKey of 1-(2-chloroheptyl)-3-methyl-2H-imidazole;hydrochloride?
The InChIKey is DOWSCBZRRYEYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClN2.ClH/c1-3-4-5-6-11(12)9-14-8-7-13(2)10-14;/h7-8,11H,3-6,9-10H2,1-2H3;1H.
What are the key properties of 1-(2-chloroheptyl)-3-methyl-2H-imidazole;hydrochloride?
1-(2-chloroheptyl)-3-methyl-2H-imidazole;hydrochloride has a molecular weight of 253.22 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroheptyl)-3-methyl-2H-imidazole;hydrochloride is sourced from PubChem (CID 175593692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).