1-[(3,4-dichlorophenyl)methyl]-3-methylbenzimidazol-2-imine;hydrobromide

C15H14BrCl2N3 — CID 163329419

IUPAC1-[(3,4-dichlorophenyl)methyl]-3-methylbenzimidazol-2-imine;hydrobromide
SMILESBr.[H]/N=c1\n(C)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2N3.BrH/c1-19-13-4-2-3-5-14(13)20(15(19)18)9-10-6-7-11(16)12(17)8-10;/h2-8,18H,9H2,1H3;1H/b18-15+;
InChIKeyZYXDCWRDQMIFAC-FLNCGGNMSA-N
MW387.11 g/mol
LogP4.39
Rot. Bonds2

About 1-[(3,4-dichlorophenyl)methyl]-3-methylbenzimidazol-2-imine;hydrobromide

1-[(3,4-dichlorophenyl)methyl]-3-methylbenzimidazol-2-imine;hydrobromide (PubChem CID 163329419) has the molecular formula C15H14BrCl2N3 and a molecular weight of 387.11 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-3-methylbenzimidazol-2-imine;hydrobromide.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-3-methylbenzimidazol-2-imine;hydrobromide
PubChem CID163329419
Molecular FormulaC15H14BrCl2N3
Molecular Weight387.11 g/mol
Exact Mass384.97
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-3-methylbenzimidazol-2-imine;hydrobromide
SMILESBr.[H]/N=c1\n(C)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2N3.BrH/c1-19-13-4-2-3-5-14(13)20(15(19)18)9-10-6-7-11(16)12(17)8-10;/h2-8,18H,9H2,1H3;1H/b18-15+;
InChIKeyZYXDCWRDQMIFAC-FLNCGGNMSA-N
XLogP4.39
TPSA33.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.11
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-3-methylbenzimidazol-2-imine;hydrobromide?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-3-methylbenzimidazol-2-imine;hydrobromide (CID 163329419) is 1-[(3,4-dichlorophenyl)methyl]-3-methylbenzimidazol-2-imine;hydrobromide.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-3-methylbenzimidazol-2-imine;hydrobromide?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-3-methylbenzimidazol-2-imine;hydrobromide is Br.[H]/N=c1\n(C)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-3-methylbenzimidazol-2-imine;hydrobromide?
The InChIKey is ZYXDCWRDQMIFAC-FLNCGGNMSA-N. The full InChI is InChI=1S/C15H13Cl2N3.BrH/c1-19-13-4-2-3-5-14(13)20(15(19)18)9-10-6-7-11(16)12(17)8-10;/h2-8,18H,9H2,1H3;1H/b18-15+;.
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-3-methylbenzimidazol-2-imine;hydrobromide?
1-[(3,4-dichlorophenyl)methyl]-3-methylbenzimidazol-2-imine;hydrobromide has a molecular weight of 387.11 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-3-methylbenzimidazol-2-imine;hydrobromide is sourced from PubChem (CID 163329419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).