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

C19H24ClN3O2 — CID 6602776

IUPAC1-(3-ethyl-2-iminobenzimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol;hydrochloride
SMILESCl.[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/b20-19+;
InChIKeyQOUQBJQQJXDIRI-RZLHGTIFSA-N
MW361.87 g/mol
LogP3.11
Rot. Bonds6

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

1-(3-ethyl-2-iminobenzimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol;hydrochloride (PubChem CID 6602776) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is 1-(3-ethyl-2-iminobenzimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(3-ethyl-2-iminobenzimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol;hydrochloride
PubChem CID6602776
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC Name1-(3-ethyl-2-iminobenzimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol;hydrochloride
SMILESCl.[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/b20-19+;
InChIKeyQOUQBJQQJXDIRI-RZLHGTIFSA-N
XLogP3.11
TPSA63.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-iminobenzimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol;hydrochloride?
The IUPAC name of 1-(3-ethyl-2-iminobenzimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol;hydrochloride (CID 6602776) is 1-(3-ethyl-2-iminobenzimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(3-ethyl-2-iminobenzimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(3-ethyl-2-iminobenzimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol;hydrochloride 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;hydrochloride?
The InChIKey is QOUQBJQQJXDIRI-RZLHGTIFSA-N. 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/b20-19+;.
What are the key properties of 1-(3-ethyl-2-iminobenzimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol;hydrochloride?
1-(3-ethyl-2-iminobenzimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol;hydrochloride has a molecular weight of 361.87 g/mol, XLogP of 3.11, 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;hydrochloride is sourced from PubChem (CID 6602776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).