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

C17H19N3O — CID 70460534

IUPAC2-[[4-(dimethylamino)phenyl]methyl]-7-methyl-3H-benzimidazol-4-ol
SMILESCc1ccc(O)c2[nH]c(Cc3ccc(N(C)C)cc3)nc12
InChIInChI=1S/C17H19N3O/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)
InChIKeyQZZZTJFTBSXZRQ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.23
Rot. Bonds3

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

2-[[4-(dimethylamino)phenyl]methyl]-7-methyl-3H-benzimidazol-4-ol (PubChem CID 70460534) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)phenyl]methyl]-7-methyl-3H-benzimidazol-4-ol.

Molecular Properties

Compound Name2-[[4-(dimethylamino)phenyl]methyl]-7-methyl-3H-benzimidazol-4-ol
PubChem CID70460534
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-[[4-(dimethylamino)phenyl]methyl]-7-methyl-3H-benzimidazol-4-ol
SMILESCc1ccc(O)c2[nH]c(Cc3ccc(N(C)C)cc3)nc12
InChIInChI=1S/C17H19N3O/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)
InChIKeyQZZZTJFTBSXZRQ-UHFFFAOYSA-N
XLogP3.23
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.23
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?
The IUPAC name of 2-[[4-(dimethylamino)phenyl]methyl]-7-methyl-3H-benzimidazol-4-ol (CID 70460534) is 2-[[4-(dimethylamino)phenyl]methyl]-7-methyl-3H-benzimidazol-4-ol.
What is the SMILES notation for 2-[[4-(dimethylamino)phenyl]methyl]-7-methyl-3H-benzimidazol-4-ol?
The canonical SMILES for 2-[[4-(dimethylamino)phenyl]methyl]-7-methyl-3H-benzimidazol-4-ol is Cc1ccc(O)c2[nH]c(Cc3ccc(N(C)C)cc3)nc12.
What is the InChIKey of 2-[[4-(dimethylamino)phenyl]methyl]-7-methyl-3H-benzimidazol-4-ol?
The InChIKey is QZZZTJFTBSXZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/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).
What are the key properties of 2-[[4-(dimethylamino)phenyl]methyl]-7-methyl-3H-benzimidazol-4-ol?
2-[[4-(dimethylamino)phenyl]methyl]-7-methyl-3H-benzimidazol-4-ol has a molecular weight of 281.36 g/mol, XLogP of 3.23, 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 is sourced from PubChem (CID 70460534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).