3-(benzimidazol-1-yl)-N-[[4-(dimethylamino)phenyl]methylideneamino]-2-methylpropanamide

C20H23N5O — CID 3522624

IUPAC3-(benzimidazol-1-yl)-N-[[4-(dimethylamino)phenyl]methylideneamino]-2-methylpropanamide
SMILESCC(Cn1cnc2ccccc21)C(=O)NN=Cc1ccc(N(C)C)cc1
InChIInChI=1S/C20H23N5O/c1-15(13-25-14-21-18-6-4-5-7-19(18)25)20(26)23-22-12-16-8-10-17(11-9-16)24(2)3/h4-12,14-15H,13H2,1-3H3,(H,23,26)
InChIKeyFQTOIDBJOZEFFX-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.89
Rot. Bonds6

About 3-(benzimidazol-1-yl)-N-[[4-(dimethylamino)phenyl]methylideneamino]-2-methylpropanamide

3-(benzimidazol-1-yl)-N-[[4-(dimethylamino)phenyl]methylideneamino]-2-methylpropanamide (PubChem CID 3522624) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-[[4-(dimethylamino)phenyl]methylideneamino]-2-methylpropanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-[[4-(dimethylamino)phenyl]methylideneamino]-2-methylpropanamide
PubChem CID3522624
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name3-(benzimidazol-1-yl)-N-[[4-(dimethylamino)phenyl]methylideneamino]-2-methylpropanamide
SMILESCC(Cn1cnc2ccccc21)C(=O)NN=Cc1ccc(N(C)C)cc1
InChIInChI=1S/C20H23N5O/c1-15(13-25-14-21-18-6-4-5-7-19(18)25)20(26)23-22-12-16-8-10-17(11-9-16)24(2)3/h4-12,14-15H,13H2,1-3H3,(H,23,26)
InChIKeyFQTOIDBJOZEFFX-UHFFFAOYSA-N
XLogP2.89
TPSA62.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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
3-(benzimidazol-1-yl)-N-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanamide
CID 3775209
3-(benzimidazol-1-yl)-2-methyl-N-(thiophen-2-ylmethylideneamino)propanamide
CID 4164331
(2R)-3-(benzimidazol-1-yl)-N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-methylpropanamide
CID 136739135
2-(benzimidazol-1-yl)-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide
CID 9121187
N,N'-bis[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-ethylpropanediamide
CID 45356630
3-(benzimidazol-1-yl)-2-methylpropanamide
CID 112688309
(2R)-3-(benzimidazol-1-yl)-2-methylpropanoic acid
CID 806595
2-(benzimidazol-1-yl)-N-[(E)-(4-tert-butylphenyl)methylideneamino]acetamide
CID 6900476
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2,2-diphenylacetamide
CID 5499697
N-[(Z)-(4-anilinophenyl)methylideneamino]-2-(benzimidazol-1-yl)acetamide
CID 9044974
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide
CID 22613567

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-[[4-(dimethylamino)phenyl]methylideneamino]-2-methylpropanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-N-[[4-(dimethylamino)phenyl]methylideneamino]-2-methylpropanamide (CID 3522624) is 3-(benzimidazol-1-yl)-N-[[4-(dimethylamino)phenyl]methylideneamino]-2-methylpropanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-[[4-(dimethylamino)phenyl]methylideneamino]-2-methylpropanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-[[4-(dimethylamino)phenyl]methylideneamino]-2-methylpropanamide is CC(Cn1cnc2ccccc21)C(=O)NN=Cc1ccc(N(C)C)cc1.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-[[4-(dimethylamino)phenyl]methylideneamino]-2-methylpropanamide?
The InChIKey is FQTOIDBJOZEFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-15(13-25-14-21-18-6-4-5-7-19(18)25)20(26)23-22-12-16-8-10-17(11-9-16)24(2)3/h4-12,14-15H,13H2,1-3H3,(H,23,26).
What are the key properties of 3-(benzimidazol-1-yl)-N-[[4-(dimethylamino)phenyl]methylideneamino]-2-methylpropanamide?
3-(benzimidazol-1-yl)-N-[[4-(dimethylamino)phenyl]methylideneamino]-2-methylpropanamide has a molecular weight of 349.44 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-[[4-(dimethylamino)phenyl]methylideneamino]-2-methylpropanamide is sourced from PubChem (CID 3522624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).