4-chloro-1-[2-(4-chlorophenoxy)ethyl]-3-methylbenzimidazol-2-imine;hydrobromide

C16H16BrCl2N3O — CID 86288558

IUPAC4-chloro-1-[2-(4-chlorophenoxy)ethyl]-3-methylbenzimidazol-2-imine;hydrobromide
SMILESBr.[H]/N=c1\n(C)c2c(Cl)cccc2n1CCOc1ccc(Cl)cc1
InChIInChI=1S/C16H15Cl2N3O.BrH/c1-20-15-13(18)3-2-4-14(15)21(16(20)19)9-10-22-12-7-5-11(17)6-8-12;/h2-8,19H,9-10H2,1H3;1H/b19-16+;
InChIKeyRAMVWWQNHCSITM-PXMDEAMVSA-N
MW417.13 g/mol
LogP4.42
Rot. Bonds4

About 4-chloro-1-[2-(4-chlorophenoxy)ethyl]-3-methylbenzimidazol-2-imine;hydrobromide

4-chloro-1-[2-(4-chlorophenoxy)ethyl]-3-methylbenzimidazol-2-imine;hydrobromide (PubChem CID 86288558) has the molecular formula C16H16BrCl2N3O and a molecular weight of 417.13 g/mol. Its IUPAC name is 4-chloro-1-[2-(4-chlorophenoxy)ethyl]-3-methylbenzimidazol-2-imine;hydrobromide.

Molecular Properties

Compound Name4-chloro-1-[2-(4-chlorophenoxy)ethyl]-3-methylbenzimidazol-2-imine;hydrobromide
PubChem CID86288558
Molecular FormulaC16H16BrCl2N3O
Molecular Weight417.13 g/mol
Exact Mass414.99
IUPAC Name4-chloro-1-[2-(4-chlorophenoxy)ethyl]-3-methylbenzimidazol-2-imine;hydrobromide
SMILESBr.[H]/N=c1\n(C)c2c(Cl)cccc2n1CCOc1ccc(Cl)cc1
InChIInChI=1S/C16H15Cl2N3O.BrH/c1-20-15-13(18)3-2-4-14(15)21(16(20)19)9-10-22-12-7-5-11(17)6-8-12;/h2-8,19H,9-10H2,1H3;1H/b19-16+;
InChIKeyRAMVWWQNHCSITM-PXMDEAMVSA-N
XLogP4.42
TPSA42.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.13
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-chlorophenoxy)ethyl]-3-propylbenzimidazol-2-imine
CID 3778765
1-[2-(2-chlorophenoxy)ethyl]-3-[3-(4-chlorophenoxy)propyl]benzimidazol-2-imine
CID 17272709
1-[2-(4-bromophenoxy)ethyl]-3-[3-(4-chlorophenoxy)propyl]benzimidazol-2-imine
CID 17272705
1-[3-(4-chlorophenoxy)propyl]-3-[(4-chlorophenyl)methyl]benzimidazol-2-imine
CID 17272675
2-[4-chloro-2-imino-3-(2-phenoxyethyl)benzimidazol-1-yl]-1-(2,4-dichlorophenyl)ethanone
CID 58986149
1-[3-(4-chlorophenoxy)propyl]-3-(2-methylpropyl)benzimidazol-2-imine
CID 17272669
2-[3-[2-(4-chlorophenoxy)ethyl]-2-iminobenzimidazol-1-yl]acetamide;hydrochloride
CID 17370592
1-[(2-chlorophenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-2-imine;hydrochloride
CID 163325463
1-[3-(4-chlorophenoxy)propyl]-3-[(3,4-dichlorophenyl)methyl]benzimidazol-2-imine
CID 17272687
1-ethyl-3-(2-phenoxyethyl)benzimidazol-2-imine
CID 762258
1-[2-(4-methylphenoxy)ethyl]-3-propylbenzimidazol-2-imine
CID 3356244
3-[2-(4-chloro-2-imino-3-methylbenzimidazol-1-yl)ethyl]-1H-quinazoline-2,4-dione
CID 58985925

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[2-(4-chlorophenoxy)ethyl]-3-methylbenzimidazol-2-imine;hydrobromide?
The IUPAC name of 4-chloro-1-[2-(4-chlorophenoxy)ethyl]-3-methylbenzimidazol-2-imine;hydrobromide (CID 86288558) is 4-chloro-1-[2-(4-chlorophenoxy)ethyl]-3-methylbenzimidazol-2-imine;hydrobromide.
What is the SMILES notation for 4-chloro-1-[2-(4-chlorophenoxy)ethyl]-3-methylbenzimidazol-2-imine;hydrobromide?
The canonical SMILES for 4-chloro-1-[2-(4-chlorophenoxy)ethyl]-3-methylbenzimidazol-2-imine;hydrobromide is Br.[H]/N=c1\n(C)c2c(Cl)cccc2n1CCOc1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-1-[2-(4-chlorophenoxy)ethyl]-3-methylbenzimidazol-2-imine;hydrobromide?
The InChIKey is RAMVWWQNHCSITM-PXMDEAMVSA-N. The full InChI is InChI=1S/C16H15Cl2N3O.BrH/c1-20-15-13(18)3-2-4-14(15)21(16(20)19)9-10-22-12-7-5-11(17)6-8-12;/h2-8,19H,9-10H2,1H3;1H/b19-16+;.
What are the key properties of 4-chloro-1-[2-(4-chlorophenoxy)ethyl]-3-methylbenzimidazol-2-imine;hydrobromide?
4-chloro-1-[2-(4-chlorophenoxy)ethyl]-3-methylbenzimidazol-2-imine;hydrobromide has a molecular weight of 417.13 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[2-(4-chlorophenoxy)ethyl]-3-methylbenzimidazol-2-imine;hydrobromide is sourced from PubChem (CID 86288558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).