4,5-dichloro-2-(3-methylnaphthalen-1-yl)-1-undecylimidazole;hydrobromide

C25H33BrCl2N2 — CID 173485842

IUPAC4,5-dichloro-2-(3-methylnaphthalen-1-yl)-1-undecylimidazole;hydrobromide
SMILESBr.CCCCCCCCCCCn1c(-c2cc(C)cc3ccccc23)nc(Cl)c1Cl
InChIInChI=1S/C25H32Cl2N2.BrH/c1-3-4-5-6-7-8-9-10-13-16-29-24(27)23(26)28-25(29)22-18-19(2)17-20-14-11-12-15-21(20)22;/h11-12,14-15,17-18H,3-10,13,16H2,1-2H3;1H
InChIKeyOVIQAUWQZDMYJB-UHFFFAOYSA-N
MW512.36 g/mol
LogP9.43
Rot. Bonds11

About 4,5-dichloro-2-(3-methylnaphthalen-1-yl)-1-undecylimidazole;hydrobromide

4,5-dichloro-2-(3-methylnaphthalen-1-yl)-1-undecylimidazole;hydrobromide (PubChem CID 173485842) has the molecular formula C25H33BrCl2N2 and a molecular weight of 512.36 g/mol. Its IUPAC name is 4,5-dichloro-2-(3-methylnaphthalen-1-yl)-1-undecylimidazole;hydrobromide.

Molecular Properties

Compound Name4,5-dichloro-2-(3-methylnaphthalen-1-yl)-1-undecylimidazole;hydrobromide
PubChem CID173485842
Molecular FormulaC25H33BrCl2N2
Molecular Weight512.36 g/mol
Exact Mass510.12
IUPAC Name4,5-dichloro-2-(3-methylnaphthalen-1-yl)-1-undecylimidazole;hydrobromide
SMILESBr.CCCCCCCCCCCn1c(-c2cc(C)cc3ccccc23)nc(Cl)c1Cl
InChIInChI=1S/C25H32Cl2N2.BrH/c1-3-4-5-6-7-8-9-10-13-16-29-24(27)23(26)28-25(29)22-18-19(2)17-20-14-11-12-15-21(20)22;/h11-12,14-15,17-18H,3-10,13,16H2,1-2H3;1H
InChIKeyOVIQAUWQZDMYJB-UHFFFAOYSA-N
XLogP9.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.36
LogP ≤ 59.43
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

4,5-dichloro-1-heptyl-2-(3-methylnaphthalen-1-yl)imidazole
CID 173485850
2-methylnaphthalene;3-methyl-9-octylcarbazole
CID 167681483
2-methyl-1-tetradecylindole
CID 19869962
32-hexyl-9,14,19,24-tetramethyl-32-azaoctacyclo[25.3.1.12,6.13,30.17,11.112,16.117,21.122,26]heptatriaconta-1(30),2,4,6(37),7(36),8,10,12(35),13,15,17,19,21(34),22,24,26(33),27(31),28-octadecaene
CID 51040792
2-(2-chlorophenyl)-1-heptylbenzimidazole
CID 18878773
9-hexadecylcarbazole
CID 4166588
9-docosylcarbazole
CID 10528568
1-hydroxy-2-pentylisoquinolin-3-one
CID 90765326
3-amino-2-pentylisoquinolin-1-one
CID 43162648
benzene;9-octylcarbazole
CID 175067369
heptane;phenanthrene
CID 157482146
3,11,19-trioctyl-3,11,19-triazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
CID 132584282

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(3-methylnaphthalen-1-yl)-1-undecylimidazole;hydrobromide?
The IUPAC name of 4,5-dichloro-2-(3-methylnaphthalen-1-yl)-1-undecylimidazole;hydrobromide (CID 173485842) is 4,5-dichloro-2-(3-methylnaphthalen-1-yl)-1-undecylimidazole;hydrobromide.
What is the SMILES notation for 4,5-dichloro-2-(3-methylnaphthalen-1-yl)-1-undecylimidazole;hydrobromide?
The canonical SMILES for 4,5-dichloro-2-(3-methylnaphthalen-1-yl)-1-undecylimidazole;hydrobromide is Br.CCCCCCCCCCCn1c(-c2cc(C)cc3ccccc23)nc(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-2-(3-methylnaphthalen-1-yl)-1-undecylimidazole;hydrobromide?
The InChIKey is OVIQAUWQZDMYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32Cl2N2.BrH/c1-3-4-5-6-7-8-9-10-13-16-29-24(27)23(26)28-25(29)22-18-19(2)17-20-14-11-12-15-21(20)22;/h11-12,14-15,17-18H,3-10,13,16H2,1-2H3;1H.
What are the key properties of 4,5-dichloro-2-(3-methylnaphthalen-1-yl)-1-undecylimidazole;hydrobromide?
4,5-dichloro-2-(3-methylnaphthalen-1-yl)-1-undecylimidazole;hydrobromide has a molecular weight of 512.36 g/mol, XLogP of 9.43, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(3-methylnaphthalen-1-yl)-1-undecylimidazole;hydrobromide is sourced from PubChem (CID 173485842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).