2-[[4-(dimethylamino)phenyl]methyl]-7-methyl-3H-benzimidazol-4-ol;hydrochloride

C17H20ClN3O — CID 70460907

IUPAC2-[[4-(dimethylamino)phenyl]methyl]-7-methyl-3H-benzimidazol-4-ol;hydrochloride
SMILESCc1ccc(O)c2[nH]c(Cc3ccc(N(C)C)cc3)nc12.Cl
InChIInChI=1S/C17H19N3O.ClH/c1-11-4-9-14(21)17-16(11)18-15(19-17)10-12-5-7-13(8-6-12)20(2)3;/h4-9,21H,10H2,1-3H3,(H,18,19);1H
InChIKeyJLVXYLMJMSFGSB-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.66
Rot. Bonds3

About 2-[[4-(dimethylamino)phenyl]methyl]-7-methyl-3H-benzimidazol-4-ol;hydrochloride

2-[[4-(dimethylamino)phenyl]methyl]-7-methyl-3H-benzimidazol-4-ol;hydrochloride (PubChem CID 70460907) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)phenyl]methyl]-7-methyl-3H-benzimidazol-4-ol;hydrochloride.

Molecular Properties

Compound Name2-[[4-(dimethylamino)phenyl]methyl]-7-methyl-3H-benzimidazol-4-ol;hydrochloride
PubChem CID70460907
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name2-[[4-(dimethylamino)phenyl]methyl]-7-methyl-3H-benzimidazol-4-ol;hydrochloride
SMILESCc1ccc(O)c2[nH]c(Cc3ccc(N(C)C)cc3)nc12.Cl
InChIInChI=1S/C17H19N3O.ClH/c1-11-4-9-14(21)17-16(11)18-15(19-17)10-12-5-7-13(8-6-12)20(2)3;/h4-9,21H,10H2,1-3H3,(H,18,19);1H
InChIKeyJLVXYLMJMSFGSB-UHFFFAOYSA-N
XLogP3.66
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)phenyl]methyl]-7-methyl-3H-benzimidazol-4-ol;hydrochloride?
The IUPAC name of 2-[[4-(dimethylamino)phenyl]methyl]-7-methyl-3H-benzimidazol-4-ol;hydrochloride (CID 70460907) is 2-[[4-(dimethylamino)phenyl]methyl]-7-methyl-3H-benzimidazol-4-ol;hydrochloride.
What is the SMILES notation for 2-[[4-(dimethylamino)phenyl]methyl]-7-methyl-3H-benzimidazol-4-ol;hydrochloride?
The canonical SMILES for 2-[[4-(dimethylamino)phenyl]methyl]-7-methyl-3H-benzimidazol-4-ol;hydrochloride is Cc1ccc(O)c2[nH]c(Cc3ccc(N(C)C)cc3)nc12.Cl.
What is the InChIKey of 2-[[4-(dimethylamino)phenyl]methyl]-7-methyl-3H-benzimidazol-4-ol;hydrochloride?
The InChIKey is JLVXYLMJMSFGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O.ClH/c1-11-4-9-14(21)17-16(11)18-15(19-17)10-12-5-7-13(8-6-12)20(2)3;/h4-9,21H,10H2,1-3H3,(H,18,19);1H.
What are the key properties of 2-[[4-(dimethylamino)phenyl]methyl]-7-methyl-3H-benzimidazol-4-ol;hydrochloride?
2-[[4-(dimethylamino)phenyl]methyl]-7-methyl-3H-benzimidazol-4-ol;hydrochloride has a molecular weight of 317.82 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)phenyl]methyl]-7-methyl-3H-benzimidazol-4-ol;hydrochloride is sourced from PubChem (CID 70460907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).