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

C17H20ClN3O — CID 3039570

IUPAC[4-(dimethylamino)phenyl]-(1-methylbenzimidazol-2-yl)methanol;hydrochloride
SMILESCN(C)c1ccc(C(O)c2nc3ccccc3n2C)cc1.Cl
InChIInChI=1S/C17H19N3O.ClH/c1-19(2)13-10-8-12(9-11-13)16(21)17-18-14-6-4-5-7-15(14)20(17)3;/h4-11,16,21H,1-3H3;1H
InChIKeyBBLALQFRWKPVNL-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.14
Rot. Bonds3

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

[4-(dimethylamino)phenyl]-(1-methylbenzimidazol-2-yl)methanol;hydrochloride (PubChem CID 3039570) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-(1-methylbenzimidazol-2-yl)methanol;hydrochloride.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-(1-methylbenzimidazol-2-yl)methanol;hydrochloride
PubChem CID3039570
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name[4-(dimethylamino)phenyl]-(1-methylbenzimidazol-2-yl)methanol;hydrochloride
SMILESCN(C)c1ccc(C(O)c2nc3ccccc3n2C)cc1.Cl
InChIInChI=1S/C17H19N3O.ClH/c1-19(2)13-10-8-12(9-11-13)16(21)17-18-14-6-4-5-7-15(14)20(17)3;/h4-11,16,21H,1-3H3;1H
InChIKeyBBLALQFRWKPVNL-UHFFFAOYSA-N
XLogP3.14
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.14
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-methylbenzimidazol-2-yl)methanol;hydrochloride?
The IUPAC name of [4-(dimethylamino)phenyl]-(1-methylbenzimidazol-2-yl)methanol;hydrochloride (CID 3039570) is [4-(dimethylamino)phenyl]-(1-methylbenzimidazol-2-yl)methanol;hydrochloride.
What is the SMILES notation for [4-(dimethylamino)phenyl]-(1-methylbenzimidazol-2-yl)methanol;hydrochloride?
The canonical SMILES for [4-(dimethylamino)phenyl]-(1-methylbenzimidazol-2-yl)methanol;hydrochloride is CN(C)c1ccc(C(O)c2nc3ccccc3n2C)cc1.Cl.
What is the InChIKey of [4-(dimethylamino)phenyl]-(1-methylbenzimidazol-2-yl)methanol;hydrochloride?
The InChIKey is BBLALQFRWKPVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O.ClH/c1-19(2)13-10-8-12(9-11-13)16(21)17-18-14-6-4-5-7-15(14)20(17)3;/h4-11,16,21H,1-3H3;1H.
What are the key properties of [4-(dimethylamino)phenyl]-(1-methylbenzimidazol-2-yl)methanol;hydrochloride?
[4-(dimethylamino)phenyl]-(1-methylbenzimidazol-2-yl)methanol;hydrochloride has a molecular weight of 317.82 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-(1-methylbenzimidazol-2-yl)methanol;hydrochloride is sourced from PubChem (CID 3039570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).