1-[2-(4-methylphenoxy)ethyl]-3-propylbenzimidazol-2-imine

C19H23N3O — CID 3356244

IUPAC1-[2-(4-methylphenoxy)ethyl]-3-propylbenzimidazol-2-imine
SMILES[H]/N=c1\n(CCC)c2ccccc2n1CCOc1ccc(C)cc1
InChIInChI=1S/C19H23N3O/c1-3-12-21-17-6-4-5-7-18(17)22(19(21)20)13-14-23-16-10-8-15(2)9-11-16/h4-11,20H,3,12-14H2,1-2H3/b20-19+
InChIKeyVMVXETSGXJOCFZ-FMQUCBEESA-N
MW309.41 g/mol
LogP3.72
Rot. Bonds6

About 1-[2-(4-methylphenoxy)ethyl]-3-propylbenzimidazol-2-imine

1-[2-(4-methylphenoxy)ethyl]-3-propylbenzimidazol-2-imine (PubChem CID 3356244) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-[2-(4-methylphenoxy)ethyl]-3-propylbenzimidazol-2-imine.

Molecular Properties

Compound Name1-[2-(4-methylphenoxy)ethyl]-3-propylbenzimidazol-2-imine
PubChem CID3356244
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name1-[2-(4-methylphenoxy)ethyl]-3-propylbenzimidazol-2-imine
SMILES[H]/N=c1\n(CCC)c2ccccc2n1CCOc1ccc(C)cc1
InChIInChI=1S/C19H23N3O/c1-3-12-21-17-6-4-5-7-18(17)22(19(21)20)13-14-23-16-10-8-15(2)9-11-16/h4-11,20H,3,12-14H2,1-2H3/b20-19+
InChIKeyVMVXETSGXJOCFZ-FMQUCBEESA-N
XLogP3.72
TPSA42.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.72
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-[(4-methylphenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-2-imine
CID 1112929
ethyl 2-[2-imino-3-[2-(4-methylphenoxy)ethyl]benzimidazol-1-yl]acetate
CID 35215833
1-[2-(4-methylphenoxy)ethyl]-3-propan-2-ylbenzimidazol-2-imine
CID 949113
1-ethyl-3-(2-phenoxyethyl)benzimidazol-2-imine
CID 762258
1-[2-(4-methylphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-imine
CID 1259026
1-[2-(2-methylphenoxy)ethyl]-3-propylbenzimidazol-2-imine;hydrobromide
CID 2932291
1-ethyl-3-[3-(4-fluorophenoxy)propyl]benzimidazol-2-imine
CID 22332685
1-ethyl-3-propylbenzimidazol-2-imine;hydrobromide
CID 52997879
1-benzyl-3-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-imine
CID 1050683
1-[2-(4-methoxyphenoxy)ethyl]-3-prop-2-enylbenzimidazol-2-imine
CID 798717
2-[3-[2-(4-bromophenoxy)ethyl]-2-iminobenzimidazol-1-yl]-N,N-diethylethanamine;hydrobromide
CID 146051177

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylphenoxy)ethyl]-3-propylbenzimidazol-2-imine?
The IUPAC name of 1-[2-(4-methylphenoxy)ethyl]-3-propylbenzimidazol-2-imine (CID 3356244) is 1-[2-(4-methylphenoxy)ethyl]-3-propylbenzimidazol-2-imine.
What is the SMILES notation for 1-[2-(4-methylphenoxy)ethyl]-3-propylbenzimidazol-2-imine?
The canonical SMILES for 1-[2-(4-methylphenoxy)ethyl]-3-propylbenzimidazol-2-imine is [H]/N=c1\n(CCC)c2ccccc2n1CCOc1ccc(C)cc1.
What is the InChIKey of 1-[2-(4-methylphenoxy)ethyl]-3-propylbenzimidazol-2-imine?
The InChIKey is VMVXETSGXJOCFZ-FMQUCBEESA-N. The full InChI is InChI=1S/C19H23N3O/c1-3-12-21-17-6-4-5-7-18(17)22(19(21)20)13-14-23-16-10-8-15(2)9-11-16/h4-11,20H,3,12-14H2,1-2H3/b20-19+.
What are the key properties of 1-[2-(4-methylphenoxy)ethyl]-3-propylbenzimidazol-2-imine?
1-[2-(4-methylphenoxy)ethyl]-3-propylbenzimidazol-2-imine has a molecular weight of 309.41 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylphenoxy)ethyl]-3-propylbenzimidazol-2-imine is sourced from PubChem (CID 3356244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).