1-[(2-chlorophenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-2-imine;hydrochloride

C22H21Cl2N3O — CID 163325463

IUPAC1-[(2-chlorophenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-2-imine;hydrochloride
SMILESCl.[H]/N=c1\n(CCOc2ccccc2)c2ccccc2n1Cc1ccccc1Cl
InChIInChI=1S/C22H20ClN3O.ClH/c23-19-11-5-4-8-17(19)16-26-21-13-7-6-12-20(21)25(22(26)24)14-15-27-18-9-2-1-3-10-18;/h1-13,24H,14-16H2;1H/b24-22+;
InChIKeyHEUBMNDHSYNYPU-HDPAMLMOSA-N
MW414.34 g/mol
LogP5.12
Rot. Bonds6

About 1-[(2-chlorophenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-2-imine;hydrochloride

1-[(2-chlorophenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-2-imine;hydrochloride (PubChem CID 163325463) has the molecular formula C22H21Cl2N3O and a molecular weight of 414.34 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-2-imine;hydrochloride.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-2-imine;hydrochloride
PubChem CID163325463
Molecular FormulaC22H21Cl2N3O
Molecular Weight414.34 g/mol
Exact Mass413.11
IUPAC Name1-[(2-chlorophenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-2-imine;hydrochloride
SMILESCl.[H]/N=c1\n(CCOc2ccccc2)c2ccccc2n1Cc1ccccc1Cl
InChIInChI=1S/C22H20ClN3O.ClH/c23-19-11-5-4-8-17(19)16-26-21-13-7-6-12-20(21)25(22(26)24)14-15-27-18-9-2-1-3-10-18;/h1-13,24H,14-16H2;1H/b24-22+;
InChIKeyHEUBMNDHSYNYPU-HDPAMLMOSA-N
XLogP5.12
TPSA42.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.34
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chlorophenyl)methyl]-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-imine;hydrobromide
CID 2979174
1-[(4-methylphenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-2-imine
CID 1112929
1-ethyl-3-(2-phenoxyethyl)benzimidazol-2-imine
CID 762258
1-benzyl-3-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-imine
CID 1050683
1-(2-phenoxyethyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-imine
CID 1043068
1-[2-(2-chlorophenoxy)ethyl]-3-[3-(4-chlorophenoxy)propyl]benzimidazol-2-imine
CID 17272709
1-[3-(4-chlorophenoxy)propyl]-3-[(4-chlorophenyl)methyl]benzimidazol-2-imine
CID 17272675
1-[2-(4-chlorophenoxy)ethyl]-3-propylbenzimidazol-2-imine
CID 3778765
2-[3-[2-(2-chlorophenoxy)ethyl]-2-iminobenzimidazol-1-yl]ethanol;hydrochloride
CID 2931281
1-[2-(4-bromophenoxy)ethyl]-3-[3-(4-chlorophenoxy)propyl]benzimidazol-2-imine
CID 17272705
1-[(2-fluorophenyl)methyl]-3-(2-naphthalen-2-yloxyethyl)benzimidazol-2-imine;hydrobromide
CID 163326365
methyl 2-[3-[(2-chlorophenyl)methyl]-2-iminobenzimidazol-1-yl]acetate
CID 780689

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-2-imine;hydrochloride?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-2-imine;hydrochloride (CID 163325463) is 1-[(2-chlorophenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-2-imine;hydrochloride.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-2-imine;hydrochloride?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-2-imine;hydrochloride is Cl.[H]/N=c1\n(CCOc2ccccc2)c2ccccc2n1Cc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-2-imine;hydrochloride?
The InChIKey is HEUBMNDHSYNYPU-HDPAMLMOSA-N. The full InChI is InChI=1S/C22H20ClN3O.ClH/c23-19-11-5-4-8-17(19)16-26-21-13-7-6-12-20(21)25(22(26)24)14-15-27-18-9-2-1-3-10-18;/h1-13,24H,14-16H2;1H/b24-22+;.
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-2-imine;hydrochloride?
1-[(2-chlorophenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-2-imine;hydrochloride has a molecular weight of 414.34 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-2-imine;hydrochloride is sourced from PubChem (CID 163325463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).