1-[1-[4-(aminomethyl)phenyl]benzimidazol-5-yl]-N-methylmethanamine oxide

C16H18N4O — CID 170038782

IUPAC1-[1-[4-(aminomethyl)phenyl]benzimidazol-5-yl]-N-methylmethanamine oxide
SMILESC[NH+]([O-])Cc1ccc2c(c1)ncn2-c1ccc(CN)cc1
InChIInChI=1S/C16H18N4O/c1-19(21)10-13-4-7-16-15(8-13)18-11-20(16)14-5-2-12(9-17)3-6-14/h2-8,11,19H,9-10,17H2,1H3
InChIKeyVOZMIAIEAFSLKZ-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.00
Rot. Bonds4

About 1-[1-[4-(aminomethyl)phenyl]benzimidazol-5-yl]-N-methylmethanamine oxide

1-[1-[4-(aminomethyl)phenyl]benzimidazol-5-yl]-N-methylmethanamine oxide (PubChem CID 170038782) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-[1-[4-(aminomethyl)phenyl]benzimidazol-5-yl]-N-methylmethanamine oxide.

Molecular Properties

Compound Name1-[1-[4-(aminomethyl)phenyl]benzimidazol-5-yl]-N-methylmethanamine oxide
PubChem CID170038782
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name1-[1-[4-(aminomethyl)phenyl]benzimidazol-5-yl]-N-methylmethanamine oxide
SMILESC[NH+]([O-])Cc1ccc2c(c1)ncn2-c1ccc(CN)cc1
InChIInChI=1S/C16H18N4O/c1-19(21)10-13-4-7-16-15(8-13)18-11-20(16)14-5-2-12(9-17)3-6-14/h2-8,11,19H,9-10,17H2,1H3
InChIKeyVOZMIAIEAFSLKZ-UHFFFAOYSA-N
XLogP1.00
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(aminomethyl)phenyl]benzimidazol-5-yl]-N-methylmethanamine oxide?
The IUPAC name of 1-[1-[4-(aminomethyl)phenyl]benzimidazol-5-yl]-N-methylmethanamine oxide (CID 170038782) is 1-[1-[4-(aminomethyl)phenyl]benzimidazol-5-yl]-N-methylmethanamine oxide.
What is the SMILES notation for 1-[1-[4-(aminomethyl)phenyl]benzimidazol-5-yl]-N-methylmethanamine oxide?
The canonical SMILES for 1-[1-[4-(aminomethyl)phenyl]benzimidazol-5-yl]-N-methylmethanamine oxide is C[NH+]([O-])Cc1ccc2c(c1)ncn2-c1ccc(CN)cc1.
What is the InChIKey of 1-[1-[4-(aminomethyl)phenyl]benzimidazol-5-yl]-N-methylmethanamine oxide?
The InChIKey is VOZMIAIEAFSLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-19(21)10-13-4-7-16-15(8-13)18-11-20(16)14-5-2-12(9-17)3-6-14/h2-8,11,19H,9-10,17H2,1H3.
What are the key properties of 1-[1-[4-(aminomethyl)phenyl]benzimidazol-5-yl]-N-methylmethanamine oxide?
1-[1-[4-(aminomethyl)phenyl]benzimidazol-5-yl]-N-methylmethanamine oxide has a molecular weight of 282.35 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(aminomethyl)phenyl]benzimidazol-5-yl]-N-methylmethanamine oxide is sourced from PubChem (CID 170038782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).