2-(3H-benzimidazol-5-yl)-N-[4-(diethylamino)phenyl]acetamide

C19H22N4O — CID 110772496

IUPAC2-(3H-benzimidazol-5-yl)-N-[4-(diethylamino)phenyl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)Cc2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C19H22N4O/c1-3-23(4-2)16-8-6-15(7-9-16)22-19(24)12-14-5-10-17-18(11-14)21-13-20-17/h5-11,13H,3-4,12H2,1-2H3,(H,20,21)(H,22,24)
InChIKeyLKAYJBYCLFWLPB-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.59
Rot. Bonds6

About 2-(3H-benzimidazol-5-yl)-N-[4-(diethylamino)phenyl]acetamide

2-(3H-benzimidazol-5-yl)-N-[4-(diethylamino)phenyl]acetamide (PubChem CID 110772496) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-(3H-benzimidazol-5-yl)-N-[4-(diethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(3H-benzimidazol-5-yl)-N-[4-(diethylamino)phenyl]acetamide
PubChem CID110772496
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-(3H-benzimidazol-5-yl)-N-[4-(diethylamino)phenyl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)Cc2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C19H22N4O/c1-3-23(4-2)16-8-6-15(7-9-16)22-19(24)12-14-5-10-17-18(11-14)21-13-20-17/h5-11,13H,3-4,12H2,1-2H3,(H,20,21)(H,22,24)
InChIKeyLKAYJBYCLFWLPB-UHFFFAOYSA-N
XLogP3.59
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3H-benzimidazol-5-yl)-N-[4-(diethylamino)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3H-benzimidazol-5-yl)-N-[4-(dimethylamino)phenyl]acetamide
CID 110772495
2-(3H-benzimidazol-5-yl)-N-(4-fluorophenyl)acetamide
CID 110772459
N-(3H-benzimidazol-5-yl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide
CID 108529290
3-(3H-benzimidazol-5-yl)-N-(4-ethoxyphenyl)propanamide
CID 53131365
N-[4-(diethylamino)phenyl]-2-(4-fluorophenyl)acetamide
CID 849192
2-(3H-benzimidazol-5-yl)-N-[4-[(2-fluorophenyl)methoxy]phenyl]acetamide
CID 46951689
2-(3H-benzimidazol-5-yl)acetic acid;hydrochloride
CID 3046610
methyl 2-[3-[[2-(3H-benzimidazol-5-yl)acetyl]amino]phenoxy]acetate
CID 166393940
N-(3H-benzimidazol-5-yl)-2-(ethylamino)acetamide
CID 115157714
2-(3H-benzimidazol-5-yl)-N-(2-methoxyphenyl)acetamide
CID 110772471
N-[4-(diethylamino)phenyl]-2-(2H-tetrazol-5-yl)acetamide
CID 110499370
2-(3-aminophenyl)-N-[4-(diethylamino)phenyl]acetamide
CID 28712277

Frequently Asked Questions

What is the IUPAC name of 2-(3H-benzimidazol-5-yl)-N-[4-(diethylamino)phenyl]acetamide?
The IUPAC name of 2-(3H-benzimidazol-5-yl)-N-[4-(diethylamino)phenyl]acetamide (CID 110772496) is 2-(3H-benzimidazol-5-yl)-N-[4-(diethylamino)phenyl]acetamide.
What is the SMILES notation for 2-(3H-benzimidazol-5-yl)-N-[4-(diethylamino)phenyl]acetamide?
The canonical SMILES for 2-(3H-benzimidazol-5-yl)-N-[4-(diethylamino)phenyl]acetamide is CCN(CC)c1ccc(NC(=O)Cc2ccc3nc[nH]c3c2)cc1.
What is the InChIKey of 2-(3H-benzimidazol-5-yl)-N-[4-(diethylamino)phenyl]acetamide?
The InChIKey is LKAYJBYCLFWLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-3-23(4-2)16-8-6-15(7-9-16)22-19(24)12-14-5-10-17-18(11-14)21-13-20-17/h5-11,13H,3-4,12H2,1-2H3,(H,20,21)(H,22,24).
What are the key properties of 2-(3H-benzimidazol-5-yl)-N-[4-(diethylamino)phenyl]acetamide?
2-(3H-benzimidazol-5-yl)-N-[4-(diethylamino)phenyl]acetamide has a molecular weight of 322.41 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-benzimidazol-5-yl)-N-[4-(diethylamino)phenyl]acetamide is sourced from PubChem (CID 110772496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).