3-(1H-benzimidazol-2-yl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide

C19H21N5O — CID 6883120

IUPAC3-(1H-benzimidazol-2-yl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide
SMILESCN(C)c1ccc(/C=N/NC(=O)CCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C19H21N5O/c1-24(2)15-9-7-14(8-10-15)13-20-23-19(25)12-11-18-21-16-5-3-4-6-17(16)22-18/h3-10,13H,11-12H2,1-2H3,(H,21,22)(H,23,25)/b20-13+
InChIKeyQLNYZXVCLSNAEM-DEDYPNTBSA-N
MW335.41 g/mol
LogP2.71
Rot. Bonds6

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

3-(1H-benzimidazol-2-yl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide (PubChem CID 6883120) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide
PubChem CID6883120
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name3-(1H-benzimidazol-2-yl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide
SMILESCN(C)c1ccc(/C=N/NC(=O)CCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C19H21N5O/c1-24(2)15-9-7-14(8-10-15)13-20-23-19(25)12-11-18-21-16-5-3-4-6-17(16)22-18/h3-10,13H,11-12H2,1-2H3,(H,21,22)(H,23,25)/b20-13+
InChIKeyQLNYZXVCLSNAEM-DEDYPNTBSA-N
XLogP2.71
TPSA73.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide (CID 6883120) is 3-(1H-benzimidazol-2-yl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide is CN(C)c1ccc(/C=N/NC(=O)CCc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide?
The InChIKey is QLNYZXVCLSNAEM-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H21N5O/c1-24(2)15-9-7-14(8-10-15)13-20-23-19(25)12-11-18-21-16-5-3-4-6-17(16)22-18/h3-10,13H,11-12H2,1-2H3,(H,21,22)(H,23,25)/b20-13+.
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide?
3-(1H-benzimidazol-2-yl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide has a molecular weight of 335.41 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide is sourced from PubChem (CID 6883120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).