[4-(dimethylamino)phenyl]-(1-propylbenzimidazol-2-yl)methanol;hydrochloride

C19H24ClN3O — CID 3039563

IUPAC[4-(dimethylamino)phenyl]-(1-propylbenzimidazol-2-yl)methanol;hydrochloride
SMILESCCCn1c(C(O)c2ccc(N(C)C)cc2)nc2ccccc21.Cl
InChIInChI=1S/C19H23N3O.ClH/c1-4-13-22-17-8-6-5-7-16(17)20-19(22)18(23)14-9-11-15(12-10-14)21(2)3;/h5-12,18,23H,4,13H2,1-3H3;1H
InChIKeyJMULKJOVZPNKBS-UHFFFAOYSA-N
MW345.87 g/mol
LogP4.02
Rot. Bonds5

About [4-(dimethylamino)phenyl]-(1-propylbenzimidazol-2-yl)methanol;hydrochloride

[4-(dimethylamino)phenyl]-(1-propylbenzimidazol-2-yl)methanol;hydrochloride (PubChem CID 3039563) has the molecular formula C19H24ClN3O and a molecular weight of 345.87 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-(1-propylbenzimidazol-2-yl)methanol;hydrochloride.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-(1-propylbenzimidazol-2-yl)methanol;hydrochloride
PubChem CID3039563
Molecular FormulaC19H24ClN3O
Molecular Weight345.87 g/mol
Exact Mass345.16
IUPAC Name[4-(dimethylamino)phenyl]-(1-propylbenzimidazol-2-yl)methanol;hydrochloride
SMILESCCCn1c(C(O)c2ccc(N(C)C)cc2)nc2ccccc21.Cl
InChIInChI=1S/C19H23N3O.ClH/c1-4-13-22-17-8-6-5-7-16(17)20-19(22)18(23)14-9-11-15(12-10-14)21(2)3;/h5-12,18,23H,4,13H2,1-3H3;1H
InChIKeyJMULKJOVZPNKBS-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
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-(dimethylamino)phenyl]-(1-propylbenzimidazol-2-yl)methanol;hydrochloride?
The IUPAC name of [4-(dimethylamino)phenyl]-(1-propylbenzimidazol-2-yl)methanol;hydrochloride (CID 3039563) is [4-(dimethylamino)phenyl]-(1-propylbenzimidazol-2-yl)methanol;hydrochloride.
What is the SMILES notation for [4-(dimethylamino)phenyl]-(1-propylbenzimidazol-2-yl)methanol;hydrochloride?
The canonical SMILES for [4-(dimethylamino)phenyl]-(1-propylbenzimidazol-2-yl)methanol;hydrochloride is CCCn1c(C(O)c2ccc(N(C)C)cc2)nc2ccccc21.Cl.
What is the InChIKey of [4-(dimethylamino)phenyl]-(1-propylbenzimidazol-2-yl)methanol;hydrochloride?
The InChIKey is JMULKJOVZPNKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O.ClH/c1-4-13-22-17-8-6-5-7-16(17)20-19(22)18(23)14-9-11-15(12-10-14)21(2)3;/h5-12,18,23H,4,13H2,1-3H3;1H.
What are the key properties of [4-(dimethylamino)phenyl]-(1-propylbenzimidazol-2-yl)methanol;hydrochloride?
[4-(dimethylamino)phenyl]-(1-propylbenzimidazol-2-yl)methanol;hydrochloride has a molecular weight of 345.87 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-(1-propylbenzimidazol-2-yl)methanol;hydrochloride is sourced from PubChem (CID 3039563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).