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

C17H19N3O — CID 3039571

IUPAC[4-(dimethylamino)phenyl]-(1-methylbenzimidazol-2-yl)methanol
SMILESCN(C)c1ccc(C(O)c2nc3ccccc3n2C)cc1
InChIInChI=1S/C17H19N3O/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
InChIKeyHFJPVKZJULVAIE-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.72
Rot. Bonds3

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

[4-(dimethylamino)phenyl]-(1-methylbenzimidazol-2-yl)methanol (PubChem CID 3039571) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-(1-methylbenzimidazol-2-yl)methanol.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-(1-methylbenzimidazol-2-yl)methanol
PubChem CID3039571
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name[4-(dimethylamino)phenyl]-(1-methylbenzimidazol-2-yl)methanol
SMILESCN(C)c1ccc(C(O)c2nc3ccccc3n2C)cc1
InChIInChI=1S/C17H19N3O/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
InChIKeyHFJPVKZJULVAIE-UHFFFAOYSA-N
XLogP2.72
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.72
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?
The IUPAC name of [4-(dimethylamino)phenyl]-(1-methylbenzimidazol-2-yl)methanol (CID 3039571) is [4-(dimethylamino)phenyl]-(1-methylbenzimidazol-2-yl)methanol.
What is the SMILES notation for [4-(dimethylamino)phenyl]-(1-methylbenzimidazol-2-yl)methanol?
The canonical SMILES for [4-(dimethylamino)phenyl]-(1-methylbenzimidazol-2-yl)methanol is CN(C)c1ccc(C(O)c2nc3ccccc3n2C)cc1.
What is the InChIKey of [4-(dimethylamino)phenyl]-(1-methylbenzimidazol-2-yl)methanol?
The InChIKey is HFJPVKZJULVAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/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.
What are the key properties of [4-(dimethylamino)phenyl]-(1-methylbenzimidazol-2-yl)methanol?
[4-(dimethylamino)phenyl]-(1-methylbenzimidazol-2-yl)methanol has a molecular weight of 281.36 g/mol, XLogP of 2.72, 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 is sourced from PubChem (CID 3039571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).