[4-(diethylamino)phenyl]-(1-methylbenzimidazol-2-yl)methanol;hydrochloride

C19H24ClN3O — CID 3039568

IUPAC[4-(diethylamino)phenyl]-(1-methylbenzimidazol-2-yl)methanol;hydrochloride
SMILESCCN(CC)c1ccc(C(O)c2nc3ccccc3n2C)cc1.Cl
InChIInChI=1S/C19H23N3O.ClH/c1-4-22(5-2)15-12-10-14(11-13-15)18(23)19-20-16-8-6-7-9-17(16)21(19)3;/h6-13,18,23H,4-5H2,1-3H3;1H
InChIKeyCHUDLFRPZHIZPH-UHFFFAOYSA-N
MW345.87 g/mol
LogP3.92
Rot. Bonds5

About [4-(diethylamino)phenyl]-(1-methylbenzimidazol-2-yl)methanol;hydrochloride

[4-(diethylamino)phenyl]-(1-methylbenzimidazol-2-yl)methanol;hydrochloride (PubChem CID 3039568) has the molecular formula C19H24ClN3O and a molecular weight of 345.87 g/mol. Its IUPAC name is [4-(diethylamino)phenyl]-(1-methylbenzimidazol-2-yl)methanol;hydrochloride.

Molecular Properties

Compound Name[4-(diethylamino)phenyl]-(1-methylbenzimidazol-2-yl)methanol;hydrochloride
PubChem CID3039568
Molecular FormulaC19H24ClN3O
Molecular Weight345.87 g/mol
Exact Mass345.16
IUPAC Name[4-(diethylamino)phenyl]-(1-methylbenzimidazol-2-yl)methanol;hydrochloride
SMILESCCN(CC)c1ccc(C(O)c2nc3ccccc3n2C)cc1.Cl
InChIInChI=1S/C19H23N3O.ClH/c1-4-22(5-2)15-12-10-14(11-13-15)18(23)19-20-16-8-6-7-9-17(16)21(19)3;/h6-13,18,23H,4-5H2,1-3H3;1H
InChIKeyCHUDLFRPZHIZPH-UHFFFAOYSA-N
XLogP3.92
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(diethylamino)phenyl]-(1-methylbenzimidazol-2-yl)methanol;hydrochloride?
The IUPAC name of [4-(diethylamino)phenyl]-(1-methylbenzimidazol-2-yl)methanol;hydrochloride (CID 3039568) is [4-(diethylamino)phenyl]-(1-methylbenzimidazol-2-yl)methanol;hydrochloride.
What is the SMILES notation for [4-(diethylamino)phenyl]-(1-methylbenzimidazol-2-yl)methanol;hydrochloride?
The canonical SMILES for [4-(diethylamino)phenyl]-(1-methylbenzimidazol-2-yl)methanol;hydrochloride is CCN(CC)c1ccc(C(O)c2nc3ccccc3n2C)cc1.Cl.
What is the InChIKey of [4-(diethylamino)phenyl]-(1-methylbenzimidazol-2-yl)methanol;hydrochloride?
The InChIKey is CHUDLFRPZHIZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O.ClH/c1-4-22(5-2)15-12-10-14(11-13-15)18(23)19-20-16-8-6-7-9-17(16)21(19)3;/h6-13,18,23H,4-5H2,1-3H3;1H.
What are the key properties of [4-(diethylamino)phenyl]-(1-methylbenzimidazol-2-yl)methanol;hydrochloride?
[4-(diethylamino)phenyl]-(1-methylbenzimidazol-2-yl)methanol;hydrochloride has a molecular weight of 345.87 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diethylamino)phenyl]-(1-methylbenzimidazol-2-yl)methanol;hydrochloride is sourced from PubChem (CID 3039568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).