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

C17H18N4O — CID 110772495

IUPAC2-(3H-benzimidazol-5-yl)-N-[4-(dimethylamino)phenyl]acetamide
SMILESCN(C)c1ccc(NC(=O)Cc2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C17H18N4O/c1-21(2)14-6-4-13(5-7-14)20-17(22)10-12-3-8-15-16(9-12)19-11-18-15/h3-9,11H,10H2,1-2H3,(H,18,19)(H,20,22)
InChIKeyDQZIZDRJBHTALB-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.81
Rot. Bonds4

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

2-(3H-benzimidazol-5-yl)-N-[4-(dimethylamino)phenyl]acetamide (PubChem CID 110772495) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-(3H-benzimidazol-5-yl)-N-[4-(dimethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(3H-benzimidazol-5-yl)-N-[4-(dimethylamino)phenyl]acetamide
PubChem CID110772495
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name2-(3H-benzimidazol-5-yl)-N-[4-(dimethylamino)phenyl]acetamide
SMILESCN(C)c1ccc(NC(=O)Cc2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C17H18N4O/c1-21(2)14-6-4-13(5-7-14)20-17(22)10-12-3-8-15-16(9-12)19-11-18-15/h3-9,11H,10H2,1-2H3,(H,18,19)(H,20,22)
InChIKeyDQZIZDRJBHTALB-UHFFFAOYSA-N
XLogP2.81
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.81
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

2-(3H-benzimidazol-5-yl)-N-[4-(diethylamino)phenyl]acetamide
CID 110772496
2-(3H-benzimidazol-5-yl)-N-(4-fluorophenyl)acetamide
CID 110772459
N-[4-[4-(dimethylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide
CID 67113871
2-(1,3-benzoxazol-6-yl)-N-[4-(dimethylamino)phenyl]acetamide
CID 110771869
3-(3H-benzimidazol-5-yl)-N-(4-ethoxyphenyl)propanamide
CID 53131365
methyl 2-[3-[[2-(3H-benzimidazol-5-yl)acetyl]amino]phenoxy]acetate
CID 166393940
4-(3H-benzimidazol-5-yl)-N',N'-dimethylbutanehydrazide
CID 116847733
2-(3H-benzimidazol-5-yl)-N-(2-methoxyphenyl)acetamide
CID 110772471
3-[3H-benzimidazol-5-ylmethyl(methyl)amino]propanoic acid
CID 115218303
N-[4-(dimethylamino)phenyl]-2-phenylacetamide
CID 4095589
N-(3H-benzimidazol-5-yl)-2-(ethylamino)acetamide
CID 115157714
N-(3H-benzimidazol-5-yl)-3-chloropropanamide
CID 110460990

Frequently Asked Questions

What is the IUPAC name of 2-(3H-benzimidazol-5-yl)-N-[4-(dimethylamino)phenyl]acetamide?
The IUPAC name of 2-(3H-benzimidazol-5-yl)-N-[4-(dimethylamino)phenyl]acetamide (CID 110772495) is 2-(3H-benzimidazol-5-yl)-N-[4-(dimethylamino)phenyl]acetamide.
What is the SMILES notation for 2-(3H-benzimidazol-5-yl)-N-[4-(dimethylamino)phenyl]acetamide?
The canonical SMILES for 2-(3H-benzimidazol-5-yl)-N-[4-(dimethylamino)phenyl]acetamide is CN(C)c1ccc(NC(=O)Cc2ccc3nc[nH]c3c2)cc1.
What is the InChIKey of 2-(3H-benzimidazol-5-yl)-N-[4-(dimethylamino)phenyl]acetamide?
The InChIKey is DQZIZDRJBHTALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-21(2)14-6-4-13(5-7-14)20-17(22)10-12-3-8-15-16(9-12)19-11-18-15/h3-9,11H,10H2,1-2H3,(H,18,19)(H,20,22).
What are the key properties of 2-(3H-benzimidazol-5-yl)-N-[4-(dimethylamino)phenyl]acetamide?
2-(3H-benzimidazol-5-yl)-N-[4-(dimethylamino)phenyl]acetamide has a molecular weight of 294.36 g/mol, XLogP of 2.81, 4 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-(dimethylamino)phenyl]acetamide is sourced from PubChem (CID 110772495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).