3-(1H-benzimidazol-2-yl)-N-[4-(diethylamino)phenyl]propanamide

C20H24N4O — CID 46567336

IUPAC3-(1H-benzimidazol-2-yl)-N-[4-(diethylamino)phenyl]propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C20H24N4O/c1-3-24(4-2)16-11-9-15(10-12-16)21-20(25)14-13-19-22-17-7-5-6-8-18(17)23-19/h5-12H,3-4,13-14H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyQRMJPEJMNQATKP-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.98
Rot. Bonds7

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

3-(1H-benzimidazol-2-yl)-N-[4-(diethylamino)phenyl]propanamide (PubChem CID 46567336) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-[4-(diethylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-[4-(diethylamino)phenyl]propanamide
PubChem CID46567336
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name3-(1H-benzimidazol-2-yl)-N-[4-(diethylamino)phenyl]propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C20H24N4O/c1-3-24(4-2)16-11-9-15(10-12-16)21-20(25)14-13-19-22-17-7-5-6-8-18(17)23-19/h5-12H,3-4,13-14H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyQRMJPEJMNQATKP-UHFFFAOYSA-N
XLogP3.98
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-(1H-benzimidazol-2-yl)-N-(4-bromophenyl)propanamide
CID 18811132
3-[3-(1H-benzimidazol-2-yl)propanoylamino]-N,N-diethylbenzamide
CID 35955630
3-(1H-benzimidazol-2-yl)-N-(4-imidazol-1-ylphenyl)propanamide
CID 31409989
3-(1H-benzimidazol-2-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 25325404
3-(1H-benzimidazol-2-yl)-N-(6-methoxy-3-pyridinyl)propanamide
CID 44773909
ethyl 3-[3-(1H-benzimidazol-2-yl)propanoylamino]benzoate
CID 34202274
3-(1H-benzimidazol-2-yl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 35955668
4-[[2-(1H-benzimidazol-2-yl)ethylamino]methyl]-N,N-diethylaniline
CID 124824368
3-(1H-benzimidazol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 37162962
3-(1H-benzimidazol-2-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide
CID 46664877
3-(1H-benzimidazol-2-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 46664947
N-[4-(1H-benzimidazol-2-yl)phenyl]octadecanamide
CID 101392453

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[4-(diethylamino)phenyl]propanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[4-(diethylamino)phenyl]propanamide (CID 46567336) is 3-(1H-benzimidazol-2-yl)-N-[4-(diethylamino)phenyl]propanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-[4-(diethylamino)phenyl]propanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-[4-(diethylamino)phenyl]propanamide is CCN(CC)c1ccc(NC(=O)CCc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-[4-(diethylamino)phenyl]propanamide?
The InChIKey is QRMJPEJMNQATKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-3-24(4-2)16-11-9-15(10-12-16)21-20(25)14-13-19-22-17-7-5-6-8-18(17)23-19/h5-12H,3-4,13-14H2,1-2H3,(H,21,25)(H,22,23).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-[4-(diethylamino)phenyl]propanamide?
3-(1H-benzimidazol-2-yl)-N-[4-(diethylamino)phenyl]propanamide has a molecular weight of 336.44 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-[4-(diethylamino)phenyl]propanamide is sourced from PubChem (CID 46567336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).