1-bromodecane;1-(2-bromoethyl)naphthalene;4,5-dichloro-1-decylimidazole;4,5-dichloro-1-decyl-3-(2-naphthalen-1-ylethyl)imidazol-1-ium;4,5-dichloro-1H-imidazole;4,5-dichloro-1-(2-naphthalen-1-ylethyl)-3-nonylimidazol-3-ium;dibromide

C87H120Br4Cl8N8 — CID 162267685

IUPAC1-bromodecane;1-(2-bromoethyl)naphthalene;4,5-dichloro-1-decylimidazole;4,5-dichloro-1-decyl-3-(2-naphthalen-1-ylethyl)imidazol-1-ium;4,5-dichloro-1H-imidazole;4,5-dichloro-1-(2-naphthalen-1-ylethyl)-3-nonylimidazol-3-ium;dibromide
SMILESBrCCc1cccc2ccccc12.CCCCCCCCCCBr.CCCCCCCCCC[n+]1cn(CCc2cccc3ccccc23)c(Cl)c1Cl.CCCCCCCCCCn1cnc(Cl)c1Cl.CCCCCCCCC[n+]1cn(CCc2cccc3ccccc23)c(Cl)c1Cl.Clc1nc[nH]c1Cl.[Br-].[Br-]
InChIInChI=1S/C25H33Cl2N2.C24H31Cl2N2.C13H22Cl2N2.C12H11Br.C10H21Br.C3H2Cl2N2.2BrH/c1-2-3-4-5-6-7-8-11-18-28-20-29(25(27)24(28)26)19-17-22-15-12-14-21-13-9-10-16-23(21)22;1-2-3-4-5-6-7-10-17-27-19-28(24(26)23(27)25)18-16-21-14-11-13-20-12-8-9-15-22(20)21;1-2-3-4-5-6-7-8-9-10-17-11-16-12(14)13(17)15;13-9-8-11-6-3-5-10-4-1-2-7-12(10)11;1-2-3-4-5-6-7-8-9-10-11;4-2-3(5)7-1-6-2;;/h9-10,12-16,20H,2-8,11,17-19H2,1H3;8-9,11-15,19H,2-7,10,16-18H2,1H3;11H,2-10H2,1H3;1-7H,8-9H2;2-10H2,1H3;1H,(H,6,7);2*1H/q2*+1;;;;;;/p-2
InChIKeyNLEVYBVUVTYWJN-UHFFFAOYSA-L
MW1881.21 g/mol
LogP24.20
Rot. Bonds42

About 1-bromodecane;1-(2-bromoethyl)naphthalene;4,5-dichloro-1-decylimidazole;4,5-dichloro-1-decyl-3-(2-naphthalen-1-ylethyl)imidazol-1-ium;4,5-dichloro-1H-imidazole;4,5-dichloro-1-(2-naphthalen-1-ylethyl)-3-nonylimidazol-3-ium;dibromide

1-bromodecane;1-(2-bromoethyl)naphthalene;4,5-dichloro-1-decylimidazole;4,5-dichloro-1-decyl-3-(2-naphthalen-1-ylethyl)imidazol-1-ium;4,5-dichloro-1H-imidazole;4,5-dichloro-1-(2-naphthalen-1-ylethyl)-3-nonylimidazol-3-ium;dibromide (PubChem CID 162267685) has the molecular formula C87H120Br4Cl8N8 and a molecular weight of 1881.21 g/mol. Its IUPAC name is 1-bromodecane;1-(2-bromoethyl)naphthalene;4,5-dichloro-1-decylimidazole;4,5-dichloro-1-decyl-3-(2-naphthalen-1-ylethyl)imidazol-1-ium;4,5-dichloro-1H-imidazole;4,5-dichloro-1-(2-naphthalen-1-ylethyl)-3-nonylimidazol-3-ium;dibromide.

Molecular Properties

Compound Name1-bromodecane;1-(2-bromoethyl)naphthalene;4,5-dichloro-1-decylimidazole;4,5-dichloro-1-decyl-3-(2-naphthalen-1-ylethyl)imidazol-1-ium;4,5-dichloro-1H-imidazole;4,5-dichloro-1-(2-naphthalen-1-ylethyl)-3-nonylimidazol-3-ium;dibromide
PubChem CID162267685
Molecular FormulaC87H120Br4Cl8N8
Molecular Weight1881.21 g/mol
Exact Mass1872.39
IUPAC Name1-bromodecane;1-(2-bromoethyl)naphthalene;4,5-dichloro-1-decylimidazole;4,5-dichloro-1-decyl-3-(2-naphthalen-1-ylethyl)imidazol-1-ium;4,5-dichloro-1H-imidazole;4,5-dichloro-1-(2-naphthalen-1-ylethyl)-3-nonylimidazol-3-ium;dibromide
SMILESBrCCc1cccc2ccccc12.CCCCCCCCCCBr.CCCCCCCCCC[n+]1cn(CCc2cccc3ccccc23)c(Cl)c1Cl.CCCCCCCCCCn1cnc(Cl)c1Cl.CCCCCCCCC[n+]1cn(CCc2cccc3ccccc23)c(Cl)c1Cl.Clc1nc[nH]c1Cl.[Br-].[Br-]
InChIInChI=1S/C25H33Cl2N2.C24H31Cl2N2.C13H22Cl2N2.C12H11Br.C10H21Br.C3H2Cl2N2.2BrH/c1-2-3-4-5-6-7-8-11-18-28-20-29(25(27)24(28)26)19-17-22-15-12-14-21-13-9-10-16-23(21)22;1-2-3-4-5-6-7-10-17-27-19-28(24(26)23(27)25)18-16-21-14-11-13-20-12-8-9-15-22(20)21;1-2-3-4-5-6-7-8-9-10-17-11-16-12(14)13(17)15;13-9-8-11-6-3-5-10-4-1-2-7-12(10)11;1-2-3-4-5-6-7-8-9-10-11;4-2-3(5)7-1-6-2;;/h9-10,12-16,20H,2-8,11,17-19H2,1H3;8-9,11-15,19H,2-7,10,16-18H2,1H3;11H,2-10H2,1H3;1-7H,8-9H2;2-10H2,1H3;1H,(H,6,7);2*1H/q2*+1;;;;;;/p-2
InChIKeyNLEVYBVUVTYWJN-UHFFFAOYSA-L
XLogP24.20
TPSA64.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds42
Heavy Atoms107
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001881.21
LogP ≤ 524.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-bromodecane;1-(2-bromoethyl)naphthalene;4,5-dichloro-1-decylimidazole;4,5-dichloro-1-decyl-3-(2-naphthalen-1-ylethyl)imidazol-1-ium;4,5-dichloro-1H-imidazole;4,5-dichloro-1-(2-naphthalen-1-ylethyl)-3-nonylimidazol-3-ium;dibromide with MolForge

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

Launch Full Analysis

Related Compounds

1-(2-bromoethyl)naphthalene;4,5-dichloro-1-[[3-[[4,5-dichloro-3-(2-naphthalen-1-ylethyl)imidazol-1-ium-1-yl]methyl]-5-[[4,5-dichloro-3-(naphthalen-1-ylmethyl)imidazol-1-ium-1-yl]methyl]phenyl]methyl]-3-(2-naphthalen-1-ylethyl)imidazol-1-ium;4,5-dichloro-1H-imidazole;4,5-dichloro-1-(2-naphthalen-1-ylethyl)imidazole;1,3,5-tris(bromomethyl)benzene
CID 162267616
1-bromohexane;2-(chloromethyl)quinoline;4,5-dichloro-1-hexylimidazole;bis(2-[(4,5-dichloro-3-hexylimidazol-1-ium-1-yl)methyl]quinoline);4,5-dichloro-1H-imidazole;dichloride
CID 162290358
4,5-dichloro-1-(2-naphthalen-1-ylethyl)imidazole
CID 90161211
1-[[3,5-bis[[4,5-dichloro-3-(2-naphthalen-1-ylethyl)imidazol-1-ium-1-yl]methyl]phenyl]methyl]-4,5-dichloro-3-(2-naphthalen-1-ylethyl)imidazol-1-ium
CID 123931838
1H-benzo[f]benzimidazole-4,9-dione;2-(2-bromoethyl)naphthalene;1-bromopentane;methane;bis(1-(2-naphthalen-2-ylethyl)-3-pentylbenzo[f]benzimidazol-3-ium-4,9-dione);3-pentylbenzo[f]benzimidazole-4,9-dione;dibromide
CID 162267696
4,5-dichloro-1-(2-naphthalen-1-ylethyl)-3-(naphthalen-2-ylmethyl)imidazol-3-ium
CID 123994343
4,5-dichloro-1-decyl-3-(2-methylnaphthalen-1-yl)imidazol-1-ium
CID 89158108
1-butyl-4,5-dichloro-3-(2-ethylnaphthalen-1-yl)imidazol-1-ium bromide
CID 86719632
1-tetradecylnaphthalene
CID 14402128
acetic acid;1-(2-bromoethyl)naphthalene
CID 174648093
1-butylnaphthalene;ethane
CID 142087052
1-(2-bromoethyl)naphthalene;hydrofluoride
CID 174588408

Frequently Asked Questions

What is the IUPAC name of 1-bromodecane;1-(2-bromoethyl)naphthalene;4,5-dichloro-1-decylimidazole;4,5-dichloro-1-decyl-3-(2-naphthalen-1-ylethyl)imidazol-1-ium;4,5-dichloro-1H-imidazole;4,5-dichloro-1-(2-naphthalen-1-ylethyl)-3-nonylimidazol-3-ium;dibromide?
The IUPAC name of 1-bromodecane;1-(2-bromoethyl)naphthalene;4,5-dichloro-1-decylimidazole;4,5-dichloro-1-decyl-3-(2-naphthalen-1-ylethyl)imidazol-1-ium;4,5-dichloro-1H-imidazole;4,5-dichloro-1-(2-naphthalen-1-ylethyl)-3-nonylimidazol-3-ium;dibromide (CID 162267685) is 1-bromodecane;1-(2-bromoethyl)naphthalene;4,5-dichloro-1-decylimidazole;4,5-dichloro-1-decyl-3-(2-naphthalen-1-ylethyl)imidazol-1-ium;4,5-dichloro-1H-imidazole;4,5-dichloro-1-(2-naphthalen-1-ylethyl)-3-nonylimidazol-3-ium;dibromide.
What is the SMILES notation for 1-bromodecane;1-(2-bromoethyl)naphthalene;4,5-dichloro-1-decylimidazole;4,5-dichloro-1-decyl-3-(2-naphthalen-1-ylethyl)imidazol-1-ium;4,5-dichloro-1H-imidazole;4,5-dichloro-1-(2-naphthalen-1-ylethyl)-3-nonylimidazol-3-ium;dibromide?
The canonical SMILES for 1-bromodecane;1-(2-bromoethyl)naphthalene;4,5-dichloro-1-decylimidazole;4,5-dichloro-1-decyl-3-(2-naphthalen-1-ylethyl)imidazol-1-ium;4,5-dichloro-1H-imidazole;4,5-dichloro-1-(2-naphthalen-1-ylethyl)-3-nonylimidazol-3-ium;dibromide is BrCCc1cccc2ccccc12.CCCCCCCCCCBr.CCCCCCCCCC[n+]1cn(CCc2cccc3ccccc23)c(Cl)c1Cl.CCCCCCCCCCn1cnc(Cl)c1Cl.CCCCCCCCC[n+]1cn(CCc2cccc3ccccc23)c(Cl)c1Cl.Clc1nc[nH]c1Cl.[Br-].[Br-].
What is the InChIKey of 1-bromodecane;1-(2-bromoethyl)naphthalene;4,5-dichloro-1-decylimidazole;4,5-dichloro-1-decyl-3-(2-naphthalen-1-ylethyl)imidazol-1-ium;4,5-dichloro-1H-imidazole;4,5-dichloro-1-(2-naphthalen-1-ylethyl)-3-nonylimidazol-3-ium;dibromide?
The InChIKey is NLEVYBVUVTYWJN-UHFFFAOYSA-L. The full InChI is InChI=1S/C25H33Cl2N2.C24H31Cl2N2.C13H22Cl2N2.C12H11Br.C10H21Br.C3H2Cl2N2.2BrH/c1-2-3-4-5-6-7-8-11-18-28-20-29(25(27)24(28)26)19-17-22-15-12-14-21-13-9-10-16-23(21)22;1-2-3-4-5-6-7-10-17-27-19-28(24(26)23(27)25)18-16-21-14-11-13-20-12-8-9-15-22(20)21;1-2-3-4-5-6-7-8-9-10-17-11-16-12(14)13(17)15;13-9-8-11-6-3-5-10-4-1-2-7-12(10)11;1-2-3-4-5-6-7-8-9-10-11;4-2-3(5)7-1-6-2;;/h9-10,12-16,20H,2-8,11,17-19H2,1H3;8-9,11-15,19H,2-7,10,16-18H2,1H3;11H,2-10H2,1H3;1-7H,8-9H2;2-10H2,1H3;1H,(H,6,7);2*1H/q2*+1;;;;;;/p-2.
What are the key properties of 1-bromodecane;1-(2-bromoethyl)naphthalene;4,5-dichloro-1-decylimidazole;4,5-dichloro-1-decyl-3-(2-naphthalen-1-ylethyl)imidazol-1-ium;4,5-dichloro-1H-imidazole;4,5-dichloro-1-(2-naphthalen-1-ylethyl)-3-nonylimidazol-3-ium;dibromide?
1-bromodecane;1-(2-bromoethyl)naphthalene;4,5-dichloro-1-decylimidazole;4,5-dichloro-1-decyl-3-(2-naphthalen-1-ylethyl)imidazol-1-ium;4,5-dichloro-1H-imidazole;4,5-dichloro-1-(2-naphthalen-1-ylethyl)-3-nonylimidazol-3-ium;dibromide has a molecular weight of 1881.21 g/mol, XLogP of 24.20, 42 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromodecane;1-(2-bromoethyl)naphthalene;4,5-dichloro-1-decylimidazole;4,5-dichloro-1-decyl-3-(2-naphthalen-1-ylethyl)imidazol-1-ium;4,5-dichloro-1H-imidazole;4,5-dichloro-1-(2-naphthalen-1-ylethyl)-3-nonylimidazol-3-ium;dibromide is sourced from PubChem (CID 162267685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).