1-(3-ethyl-2-iminobenzimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol chloride

C19H23ClN3O2- — CID 53314599

IUPAC1-(3-ethyl-2-iminobenzimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol chloride
SMILES[Cl-].[H]/N=c1\n(CC)c2ccccc2n1CC(O)COc1cccc(C)c1
InChIInChI=1S/C19H23N3O2.ClH/c1-3-21-17-9-4-5-10-18(17)22(19(21)20)12-15(23)13-24-16-8-6-7-14(2)11-16;/h4-11,15,20,23H,3,12-13H2,1-2H3;1H/p-1/b20-19+;
InChIKeyQOUQBJQQJXDIRI-RZLHGTIFSA-M
MW360.87 g/mol
LogP-0.31
Rot. Bonds6

About 1-(3-ethyl-2-iminobenzimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol chloride

1-(3-ethyl-2-iminobenzimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol chloride (PubChem CID 53314599) has the molecular formula C19H23ClN3O2- and a molecular weight of 360.87 g/mol. Its IUPAC name is 1-(3-ethyl-2-iminobenzimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol chloride.

Molecular Properties

Compound Name1-(3-ethyl-2-iminobenzimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol chloride
PubChem CID53314599
Molecular FormulaC19H23ClN3O2-
Molecular Weight360.87 g/mol
Exact Mass360.15
IUPAC Name1-(3-ethyl-2-iminobenzimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol chloride
SMILES[Cl-].[H]/N=c1\n(CC)c2ccccc2n1CC(O)COc1cccc(C)c1
InChIInChI=1S/C19H23N3O2.ClH/c1-3-21-17-9-4-5-10-18(17)22(19(21)20)12-15(23)13-24-16-8-6-7-14(2)11-16;/h4-11,15,20,23H,3,12-13H2,1-2H3;1H/p-1/b20-19+;
InChIKeyQOUQBJQQJXDIRI-RZLHGTIFSA-M
XLogP-0.31
TPSA63.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.87
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(4-chlorophenoxy)-3-(3-ethyl-2-iminobenzimidazol-1-yl)propan-2-ol
CID 828194
(2R)-1-(2-imino-3-methylbenzimidazol-1-yl)-3-phenoxypropan-2-ol
CID 745112
(2S)-1-(2-imino-3-methylbenzimidazol-1-yl)-3-phenoxypropan-2-ol
CID 745110
1-(2-imino-3-methylbenzimidazol-1-yl)-3-(4-methylphenoxy)propan-2-ol
CID 2947210
1-(3-benzyl-2-iminobenzimidazol-1-yl)-3-phenoxypropan-2-ol
CID 658293
(2R)-1-(3-heptyl-2-iminobenzimidazol-1-yl)-3-phenoxypropan-2-ol
CID 98123592
(2R)-1-(3-hexyl-2-iminobenzimidazol-1-yl)-3-(4-methylphenoxy)propan-2-ol
CID 28821718
1-(3-benzyl-2-iminobenzimidazol-1-yl)-3-(4-bromo-3-methylphenoxy)propan-2-ol
CID 51003780
1-(3-methylphenoxy)butan-2-ol
CID 13089920
(2R)-1-(4-chlorophenoxy)-3-(2-imino-3-propylbenzimidazol-1-yl)propan-2-ol
CID 1118373
(2S)-1-(3-butyl-2-iminobenzimidazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol
CID 28593377
1-(3,5-dimethylphenoxy)-3-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol
CID 46270267

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-iminobenzimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol chloride?
The IUPAC name of 1-(3-ethyl-2-iminobenzimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol chloride (CID 53314599) is 1-(3-ethyl-2-iminobenzimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol chloride.
What is the SMILES notation for 1-(3-ethyl-2-iminobenzimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol chloride?
The canonical SMILES for 1-(3-ethyl-2-iminobenzimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol chloride is [Cl-].[H]/N=c1\n(CC)c2ccccc2n1CC(O)COc1cccc(C)c1.
What is the InChIKey of 1-(3-ethyl-2-iminobenzimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol chloride?
The InChIKey is QOUQBJQQJXDIRI-RZLHGTIFSA-M. The full InChI is InChI=1S/C19H23N3O2.ClH/c1-3-21-17-9-4-5-10-18(17)22(19(21)20)12-15(23)13-24-16-8-6-7-14(2)11-16;/h4-11,15,20,23H,3,12-13H2,1-2H3;1H/p-1/b20-19+;.
What are the key properties of 1-(3-ethyl-2-iminobenzimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol chloride?
1-(3-ethyl-2-iminobenzimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol chloride has a molecular weight of 360.87 g/mol, XLogP of -0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-iminobenzimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol chloride is sourced from PubChem (CID 53314599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).