3-(benzimidazol-1-yl)-N-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanamide

C18H18N4O2 — CID 3775209

IUPAC3-(benzimidazol-1-yl)-N-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanamide
SMILESCC(Cn1cnc2ccccc21)C(=O)NN=Cc1ccccc1O
InChIInChI=1S/C18H18N4O2/c1-13(11-22-12-19-15-7-3-4-8-16(15)22)18(24)21-20-10-14-6-2-5-9-17(14)23/h2-10,12-13,23H,11H2,1H3,(H,21,24)
InChIKeySHWIBPADXSYRFM-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.53
Rot. Bonds5

About 3-(benzimidazol-1-yl)-N-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanamide

3-(benzimidazol-1-yl)-N-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanamide (PubChem CID 3775209) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanamide
PubChem CID3775209
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name3-(benzimidazol-1-yl)-N-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanamide
SMILESCC(Cn1cnc2ccccc21)C(=O)NN=Cc1ccccc1O
InChIInChI=1S/C18H18N4O2/c1-13(11-22-12-19-15-7-3-4-8-16(15)22)18(24)21-20-10-14-6-2-5-9-17(14)23/h2-10,12-13,23H,11H2,1H3,(H,21,24)
InChIKeySHWIBPADXSYRFM-UHFFFAOYSA-N
XLogP2.53
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(benzimidazol-1-yl)-N-[(4-bromophenyl)methylideneamino]-2-methylpropanamide
CID 3778070
(2R)-3-(benzimidazol-1-yl)-N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-methylpropanamide
CID 136739135
3-(benzimidazol-1-yl)-2-methyl-N-(thiophen-2-ylmethylideneamino)propanamide
CID 4164331
3-(benzimidazol-1-yl)-N-[[4-(dimethylamino)phenyl]methylideneamino]-2-methylpropanamide
CID 3522624
3-(benzimidazol-1-yl)-2-methylpropanamide
CID 112688309
(2R)-3-(benzimidazol-1-yl)-2-methylpropanoic acid
CID 806595
2-(benzimidazol-1-yl)-N-[(2-chlorophenyl)methylideneamino]acetamide
CID 728512
(2S)-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 135688184
2-(benzimidazol-1-yl)-N-[(Z)-(2-bromophenyl)methylideneamino]acetamide
CID 6264883
2-(benzimidazol-1-yl)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135718335
1-(benzimidazol-1-yl)propan-2-ol
CID 22504258
2-acetamido-3-(benzimidazol-1-yl)propanoic acid
CID 64583290

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-N-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanamide (CID 3775209) is 3-(benzimidazol-1-yl)-N-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanamide is CC(Cn1cnc2ccccc21)C(=O)NN=Cc1ccccc1O.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanamide?
The InChIKey is SHWIBPADXSYRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-13(11-22-12-19-15-7-3-4-8-16(15)22)18(24)21-20-10-14-6-2-5-9-17(14)23/h2-10,12-13,23H,11H2,1H3,(H,21,24).
What are the key properties of 3-(benzimidazol-1-yl)-N-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanamide?
3-(benzimidazol-1-yl)-N-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanamide has a molecular weight of 322.37 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanamide is sourced from PubChem (CID 3775209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).