8-(bromomethyl)quinoline;2-(4-bromophenyl)ethanamine;N-[2-(4-bromophenyl)ethyl]-1H-benzimidazol-2-amine;N-[2-(4-bromophenyl)ethyl]-1-(quinolin-8-ylmethyl)benzimidazol-2-amine;2-chloro-1H-benzimidazole;methane;methyl 4-(bromomethyl)benzoate;methyl 4-[[2-[2-(4-bromophenyl)ethylimino]-3-(quinolin-8-ylmethyl)benzimidazol-1-yl]methyl]benzoate

C109H100Br6ClN15O4 — CID 159034537

IUPAC8-(bromomethyl)quinoline;2-(4-bromophenyl)ethanamine;N-[2-(4-bromophenyl)ethyl]-1H-benzimidazol-2-amine;N-[2-(4-bromophenyl)ethyl]-1-(quinolin-8-ylmethyl)benzimidazol-2-amine;2-chloro-1H-benzimidazole;methane;methyl 4-(bromomethyl)benzoate;methyl 4-[[2-[2-(4-bromophenyl)ethylimino]-3-(quinolin-8-ylmethyl)benzimidazol-1-yl]methyl]benzoate
SMILESBrCc1cccc2cccnc12.Brc1ccc(CCNc2nc3ccccc3[nH]2)cc1.Brc1ccc(CCNc2nc3ccccc3n2Cc2cccc3cccnc23)cc1.C.COC(=O)c1ccc(CBr)cc1.COC(=O)c1ccc(Cn2/c(=N\CCc3ccc(Br)cc3)n(Cc3cccc4cccnc34)c3ccccc32)cc1.Clc1nc2ccccc2[nH]1.NCCc1ccc(Br)cc1
InChIInChI=1S/C34H29BrN4O2.C25H21BrN4.C15H14BrN3.C10H8BrN.C9H9BrO2.C8H10BrN.C7H5ClN2.CH4/c1-41-33(40)27-15-11-25(12-16-27)22-38-30-9-2-3-10-31(30)39(23-28-7-4-6-26-8-5-20-36-32(26)28)34(38)37-21-19-24-13-17-29(35)18-14-24;26-21-12-10-18(11-13-21)14-16-28-25-29-22-8-1-2-9-23(22)30(25)17-20-6-3-5-19-7-4-15-27-24(19)20;16-12-7-5-11(6-8-12)9-10-17-15-18-13-3-1-2-4-14(13)19-15;11-7-9-4-1-3-8-5-2-6-12-10(8)9;1-12-9(11)8-4-2-7(6-10)3-5-8;9-8-3-1-7(2-4-8)5-6-10;8-7-9-5-3-1-2-4-6(5)10-7;/h2-18,20H,19,21-23H2,1H3;1-13,15H,14,16-17H2,(H,28,29);1-8H,9-10H2,(H2,17,18,19);1-6H,7H2;2-5H,6H2,1H3;1-4H,5-6,10H2;1-4H,(H,9,10);1H4/b37-34+;;;;;;;
InChIKeyJVHJGFWHVDPGPQ-JJRRFVSZSA-N
MW2198.98 g/mol
LogP27.11
Rot. Bonds23

About 8-(bromomethyl)quinoline;2-(4-bromophenyl)ethanamine;N-[2-(4-bromophenyl)ethyl]-1H-benzimidazol-2-amine;N-[2-(4-bromophenyl)ethyl]-1-(quinolin-8-ylmethyl)benzimidazol-2-amine;2-chloro-1H-benzimidazole;methane;methyl 4-(bromomethyl)benzoate;methyl 4-[[2-[2-(4-bromophenyl)ethylimino]-3-(quinolin-8-ylmethyl)benzimidazol-1-yl]methyl]benzoate

8-(bromomethyl)quinoline;2-(4-bromophenyl)ethanamine;N-[2-(4-bromophenyl)ethyl]-1H-benzimidazol-2-amine;N-[2-(4-bromophenyl)ethyl]-1-(quinolin-8-ylmethyl)benzimidazol-2-amine;2-chloro-1H-benzimidazole;methane;methyl 4-(bromomethyl)benzoate;methyl 4-[[2-[2-(4-bromophenyl)ethylimino]-3-(quinolin-8-ylmethyl)benzimidazol-1-yl]methyl]benzoate (PubChem CID 159034537) has the molecular formula C109H100Br6ClN15O4 and a molecular weight of 2198.98 g/mol. Its IUPAC name is 8-(bromomethyl)quinoline;2-(4-bromophenyl)ethanamine;N-[2-(4-bromophenyl)ethyl]-1H-benzimidazol-2-amine;N-[2-(4-bromophenyl)ethyl]-1-(quinolin-8-ylmethyl)benzimidazol-2-amine;2-chloro-1H-benzimidazole;methane;methyl 4-(bromomethyl)benzoate;methyl 4-[[2-[2-(4-bromophenyl)ethylimino]-3-(quinolin-8-ylmethyl)benzimidazol-1-yl]methyl]benzoate.

Molecular Properties

Compound Name8-(bromomethyl)quinoline;2-(4-bromophenyl)ethanamine;N-[2-(4-bromophenyl)ethyl]-1H-benzimidazol-2-amine;N-[2-(4-bromophenyl)ethyl]-1-(quinolin-8-ylmethyl)benzimidazol-2-amine;2-chloro-1H-benzimidazole;methane;methyl 4-(bromomethyl)benzoate;methyl 4-[[2-[2-(4-bromophenyl)ethylimino]-3-(quinolin-8-ylmethyl)benzimidazol-1-yl]methyl]benzoate
PubChem CID159034537
Molecular FormulaC109H100Br6ClN15O4
Molecular Weight2198.98 g/mol
Exact Mass2191.29
IUPAC Name8-(bromomethyl)quinoline;2-(4-bromophenyl)ethanamine;N-[2-(4-bromophenyl)ethyl]-1H-benzimidazol-2-amine;N-[2-(4-bromophenyl)ethyl]-1-(quinolin-8-ylmethyl)benzimidazol-2-amine;2-chloro-1H-benzimidazole;methane;methyl 4-(bromomethyl)benzoate;methyl 4-[[2-[2-(4-bromophenyl)ethylimino]-3-(quinolin-8-ylmethyl)benzimidazol-1-yl]methyl]benzoate
SMILESBrCc1cccc2cccnc12.Brc1ccc(CCNc2nc3ccccc3[nH]2)cc1.Brc1ccc(CCNc2nc3ccccc3n2Cc2cccc3cccnc23)cc1.C.COC(=O)c1ccc(CBr)cc1.COC(=O)c1ccc(Cn2/c(=N\CCc3ccc(Br)cc3)n(Cc3cccc4cccnc34)c3ccccc32)cc1.Clc1nc2ccccc2[nH]1.NCCc1ccc(Br)cc1
InChIInChI=1S/C34H29BrN4O2.C25H21BrN4.C15H14BrN3.C10H8BrN.C9H9BrO2.C8H10BrN.C7H5ClN2.CH4/c1-41-33(40)27-15-11-25(12-16-27)22-38-30-9-2-3-10-31(30)39(23-28-7-4-6-26-8-5-20-36-32(26)28)34(38)37-21-19-24-13-17-29(35)18-14-24;26-21-12-10-18(11-13-21)14-16-28-25-29-22-8-1-2-9-23(22)30(25)17-20-6-3-5-19-7-4-15-27-24(19)20;16-12-7-5-11(6-8-12)9-10-17-15-18-13-3-1-2-4-14(13)19-15;11-7-9-4-1-3-8-5-2-6-12-10(8)9;1-12-9(11)8-4-2-7(6-10)3-5-8;9-8-3-1-7(2-4-8)5-6-10;8-7-9-5-3-1-2-4-6(5)10-7;/h2-18,20H,19,21-23H2,1H3;1-13,15H,14,16-17H2,(H,28,29);1-8H,9-10H2,(H2,17,18,19);1-6H,7H2;2-5H,6H2,1H3;1-4H,5-6,10H2;1-4H,(H,9,10);1H4/b37-34+;;;;;;;
InChIKeyJVHJGFWHVDPGPQ-JJRRFVSZSA-N
XLogP27.11
TPSA238.75 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds23
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002198.98
LogP ≤ 527.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 8-(bromomethyl)quinoline;2-(4-bromophenyl)ethanamine;N-[2-(4-bromophenyl)ethyl]-1H-benzimidazol-2-amine;N-[2-(4-bromophenyl)ethyl]-1-(quinolin-8-ylmethyl)benzimidazol-2-amine;2-chloro-1H-benzimidazole;methane;methyl 4-(bromomethyl)benzoate;methyl 4-[[2-[2-(4-bromophenyl)ethylimino]-3-(quinolin-8-ylmethyl)benzimidazol-1-yl]methyl]benzoate with MolForge

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Related Compounds

N-(4-bromo-2-pyridinyl)pyrazin-2-amine;2,4-dibromopyridine;N-hydroxy-4-[[[4-(1H-indol-5-yl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzamide;methane;methyl 4-[[(4-bromo-2-pyridinyl)-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[[4-(1H-indol-5-yl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;pyrazin-2-amine
CID 157745497
1-[3-(1-acetyl-4,5-diphenylimidazol-2-yl)-2-methylindol-1-yl]ethanone;5-bromo-3-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1H-indole;methyl 3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole-6-carboxylate
CID 157902144
azane;2-bromo-5-fluoropyridine;N-(4-fluorophenyl)-1-methylbenzimidazol-2-amine;1-[4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenyl]-2-hydroxyethanone;1-methylbenzimidazol-2-amine;methyl 4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]benzoate
CID 158075992
azane;2-bromo-5-fluoropyridine;N-(5-fluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine;1-[4-[[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]methyl]phenyl]-2-hydroxyethanone;1-methylbenzimidazol-2-amine;methyl 4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]benzoate
CID 158188749
2-bromopyridine;N-hydroxy-4-[[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]methyl]benzamide;methane;1-methylbenzimidazol-2-amine;methyl 4-[[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]methyl]benzoate;1-methyl-N-pyridin-2-ylbenzimidazol-2-amine
CID 161309712
5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrole-5-carboxylic acid;5-bromo-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrole-5-carboxylic acid;2-(2-methyl-1H-indol-3-yl)-3H-phenanthro[9,10-b]pyrrole-5-carboxylic acid
CID 161334645
2-bromopyridine;N-hydroxy-4-[[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]methyl]benzamide;methane;1-methylbenzimidazol-2-amine;methyl 4-[[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]methyl]benzoate;1-methyl-N-pyridin-2-ylbenzimidazol-2-amine
CID 162078967

Frequently Asked Questions

What is the IUPAC name of 8-(bromomethyl)quinoline;2-(4-bromophenyl)ethanamine;N-[2-(4-bromophenyl)ethyl]-1H-benzimidazol-2-amine;N-[2-(4-bromophenyl)ethyl]-1-(quinolin-8-ylmethyl)benzimidazol-2-amine;2-chloro-1H-benzimidazole;methane;methyl 4-(bromomethyl)benzoate;methyl 4-[[2-[2-(4-bromophenyl)ethylimino]-3-(quinolin-8-ylmethyl)benzimidazol-1-yl]methyl]benzoate?
The IUPAC name of 8-(bromomethyl)quinoline;2-(4-bromophenyl)ethanamine;N-[2-(4-bromophenyl)ethyl]-1H-benzimidazol-2-amine;N-[2-(4-bromophenyl)ethyl]-1-(quinolin-8-ylmethyl)benzimidazol-2-amine;2-chloro-1H-benzimidazole;methane;methyl 4-(bromomethyl)benzoate;methyl 4-[[2-[2-(4-bromophenyl)ethylimino]-3-(quinolin-8-ylmethyl)benzimidazol-1-yl]methyl]benzoate (CID 159034537) is 8-(bromomethyl)quinoline;2-(4-bromophenyl)ethanamine;N-[2-(4-bromophenyl)ethyl]-1H-benzimidazol-2-amine;N-[2-(4-bromophenyl)ethyl]-1-(quinolin-8-ylmethyl)benzimidazol-2-amine;2-chloro-1H-benzimidazole;methane;methyl 4-(bromomethyl)benzoate;methyl 4-[[2-[2-(4-bromophenyl)ethylimino]-3-(quinolin-8-ylmethyl)benzimidazol-1-yl]methyl]benzoate.
What is the SMILES notation for 8-(bromomethyl)quinoline;2-(4-bromophenyl)ethanamine;N-[2-(4-bromophenyl)ethyl]-1H-benzimidazol-2-amine;N-[2-(4-bromophenyl)ethyl]-1-(quinolin-8-ylmethyl)benzimidazol-2-amine;2-chloro-1H-benzimidazole;methane;methyl 4-(bromomethyl)benzoate;methyl 4-[[2-[2-(4-bromophenyl)ethylimino]-3-(quinolin-8-ylmethyl)benzimidazol-1-yl]methyl]benzoate?
The canonical SMILES for 8-(bromomethyl)quinoline;2-(4-bromophenyl)ethanamine;N-[2-(4-bromophenyl)ethyl]-1H-benzimidazol-2-amine;N-[2-(4-bromophenyl)ethyl]-1-(quinolin-8-ylmethyl)benzimidazol-2-amine;2-chloro-1H-benzimidazole;methane;methyl 4-(bromomethyl)benzoate;methyl 4-[[2-[2-(4-bromophenyl)ethylimino]-3-(quinolin-8-ylmethyl)benzimidazol-1-yl]methyl]benzoate is BrCc1cccc2cccnc12.Brc1ccc(CCNc2nc3ccccc3[nH]2)cc1.Brc1ccc(CCNc2nc3ccccc3n2Cc2cccc3cccnc23)cc1.C.COC(=O)c1ccc(CBr)cc1.COC(=O)c1ccc(Cn2/c(=N\CCc3ccc(Br)cc3)n(Cc3cccc4cccnc34)c3ccccc32)cc1.Clc1nc2ccccc2[nH]1.NCCc1ccc(Br)cc1.
What is the InChIKey of 8-(bromomethyl)quinoline;2-(4-bromophenyl)ethanamine;N-[2-(4-bromophenyl)ethyl]-1H-benzimidazol-2-amine;N-[2-(4-bromophenyl)ethyl]-1-(quinolin-8-ylmethyl)benzimidazol-2-amine;2-chloro-1H-benzimidazole;methane;methyl 4-(bromomethyl)benzoate;methyl 4-[[2-[2-(4-bromophenyl)ethylimino]-3-(quinolin-8-ylmethyl)benzimidazol-1-yl]methyl]benzoate?
The InChIKey is JVHJGFWHVDPGPQ-JJRRFVSZSA-N. The full InChI is InChI=1S/C34H29BrN4O2.C25H21BrN4.C15H14BrN3.C10H8BrN.C9H9BrO2.C8H10BrN.C7H5ClN2.CH4/c1-41-33(40)27-15-11-25(12-16-27)22-38-30-9-2-3-10-31(30)39(23-28-7-4-6-26-8-5-20-36-32(26)28)34(38)37-21-19-24-13-17-29(35)18-14-24;26-21-12-10-18(11-13-21)14-16-28-25-29-22-8-1-2-9-23(22)30(25)17-20-6-3-5-19-7-4-15-27-24(19)20;16-12-7-5-11(6-8-12)9-10-17-15-18-13-3-1-2-4-14(13)19-15;11-7-9-4-1-3-8-5-2-6-12-10(8)9;1-12-9(11)8-4-2-7(6-10)3-5-8;9-8-3-1-7(2-4-8)5-6-10;8-7-9-5-3-1-2-4-6(5)10-7;/h2-18,20H,19,21-23H2,1H3;1-13,15H,14,16-17H2,(H,28,29);1-8H,9-10H2,(H2,17,18,19);1-6H,7H2;2-5H,6H2,1H3;1-4H,5-6,10H2;1-4H,(H,9,10);1H4/b37-34+;;;;;;;.
What are the key properties of 8-(bromomethyl)quinoline;2-(4-bromophenyl)ethanamine;N-[2-(4-bromophenyl)ethyl]-1H-benzimidazol-2-amine;N-[2-(4-bromophenyl)ethyl]-1-(quinolin-8-ylmethyl)benzimidazol-2-amine;2-chloro-1H-benzimidazole;methane;methyl 4-(bromomethyl)benzoate;methyl 4-[[2-[2-(4-bromophenyl)ethylimino]-3-(quinolin-8-ylmethyl)benzimidazol-1-yl]methyl]benzoate?
8-(bromomethyl)quinoline;2-(4-bromophenyl)ethanamine;N-[2-(4-bromophenyl)ethyl]-1H-benzimidazol-2-amine;N-[2-(4-bromophenyl)ethyl]-1-(quinolin-8-ylmethyl)benzimidazol-2-amine;2-chloro-1H-benzimidazole;methane;methyl 4-(bromomethyl)benzoate;methyl 4-[[2-[2-(4-bromophenyl)ethylimino]-3-(quinolin-8-ylmethyl)benzimidazol-1-yl]methyl]benzoate has a molecular weight of 2198.98 g/mol, XLogP of 27.11, 23 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(bromomethyl)quinoline;2-(4-bromophenyl)ethanamine;N-[2-(4-bromophenyl)ethyl]-1H-benzimidazol-2-amine;N-[2-(4-bromophenyl)ethyl]-1-(quinolin-8-ylmethyl)benzimidazol-2-amine;2-chloro-1H-benzimidazole;methane;methyl 4-(bromomethyl)benzoate;methyl 4-[[2-[2-(4-bromophenyl)ethylimino]-3-(quinolin-8-ylmethyl)benzimidazol-1-yl]methyl]benzoate is sourced from PubChem (CID 159034537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).