3-amino-4-imidazol-1-ylbenzamide

C10H10N4O — CID 43448488

IUPAC3-amino-4-imidazol-1-ylbenzamide
SMILESNC(=O)c1ccc(-n2ccnc2)c(N)c1
InChIInChI=1S/C10H10N4O/c11-8-5-7(10(12)15)1-2-9(8)14-4-3-13-6-14/h1-6H,11H2,(H2,12,15)
InChIKeyLBQLIZLSEIMELL-UHFFFAOYSA-N
MW202.22 g/mol
LogP0.55
Rot. Bonds2

About 3-amino-4-imidazol-1-ylbenzamide

3-amino-4-imidazol-1-ylbenzamide (PubChem CID 43448488) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 3-amino-4-imidazol-1-ylbenzamide.

Molecular Properties

Compound Name3-amino-4-imidazol-1-ylbenzamide
PubChem CID43448488
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name3-amino-4-imidazol-1-ylbenzamide
SMILESNC(=O)c1ccc(-n2ccnc2)c(N)c1
InChIInChI=1S/C10H10N4O/c11-8-5-7(10(12)15)1-2-9(8)14-4-3-13-6-14/h1-6H,11H2,(H2,12,15)
InChIKeyLBQLIZLSEIMELL-UHFFFAOYSA-N
XLogP0.55
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-(2-methylimidazol-1-yl)benzamide
CID 43448491
4-[(3-chloro-4-imidazol-1-ylanilino)methyl]benzamide
CID 166229117
7-imidazol-1-yl-5,6-dihydronaphthalene-2-carboxamide
CID 3021567
3,4-di(imidazol-1-yl)aniline
CID 129289428
2-imidazol-1-ylaniline;dihydrochloride
CID 46786017
2-(3-fluoro-4-imidazol-1-ylphenyl)-2-oxoacetic acid
CID 117339835
3-ethyl-4-imidazol-1-ylbenzoic acid
CID 84681695
(5-chloro-2-imidazol-1-ylphenyl)-(4-chlorophenyl)methanone
CID 21497391
3-imidazol-1-yl-5-(trifluoromethyl)benzamide
CID 143662292
3-bromo-N'-hydroxy-4-imidazol-1-ylbenzenecarboximidamide
CID 82799187
4-bromo-3-imidazol-1-ylbenzoic acid
CID 84711748
4-imidazol-1-yl-2-methylbenzamide
CID 81276047

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-imidazol-1-ylbenzamide?
The IUPAC name of 3-amino-4-imidazol-1-ylbenzamide (CID 43448488) is 3-amino-4-imidazol-1-ylbenzamide.
What is the SMILES notation for 3-amino-4-imidazol-1-ylbenzamide?
The canonical SMILES for 3-amino-4-imidazol-1-ylbenzamide is NC(=O)c1ccc(-n2ccnc2)c(N)c1.
What is the InChIKey of 3-amino-4-imidazol-1-ylbenzamide?
The InChIKey is LBQLIZLSEIMELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c11-8-5-7(10(12)15)1-2-9(8)14-4-3-13-6-14/h1-6H,11H2,(H2,12,15).
What are the key properties of 3-amino-4-imidazol-1-ylbenzamide?
3-amino-4-imidazol-1-ylbenzamide has a molecular weight of 202.22 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-imidazol-1-ylbenzamide is sourced from PubChem (CID 43448488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).