3-amino-4-(2-methylimidazol-1-yl)benzamide

C11H12N4O — CID 43448491

IUPAC3-amino-4-(2-methylimidazol-1-yl)benzamide
SMILESCc1nccn1-c1ccc(C(N)=O)cc1N
InChIInChI=1S/C11H12N4O/c1-7-14-4-5-15(7)10-3-2-8(11(13)16)6-9(10)12/h2-6H,12H2,1H3,(H2,13,16)
InChIKeyLHJFGKZAJKGIDO-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.86
Rot. Bonds2

About 3-amino-4-(2-methylimidazol-1-yl)benzamide

3-amino-4-(2-methylimidazol-1-yl)benzamide (PubChem CID 43448491) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-amino-4-(2-methylimidazol-1-yl)benzamide.

Molecular Properties

Compound Name3-amino-4-(2-methylimidazol-1-yl)benzamide
PubChem CID43448491
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name3-amino-4-(2-methylimidazol-1-yl)benzamide
SMILESCc1nccn1-c1ccc(C(N)=O)cc1N
InChIInChI=1S/C11H12N4O/c1-7-14-4-5-15(7)10-3-2-8(11(13)16)6-9(10)12/h2-6H,12H2,1H3,(H2,13,16)
InChIKeyLHJFGKZAJKGIDO-UHFFFAOYSA-N
XLogP0.86
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.86
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

2-(2-methylimidazol-1-yl)pyridine-4-carboxamide
CID 63811666
5-bromo-2-(2-methylimidazol-1-yl)aniline
CID 24707563
3-amino-4-(2-ethylimidazol-1-yl)benzoic acid
CID 61405550
ethyl 3-amino-4-(2-ethylimidazol-1-yl)benzoate
CID 61405600
3-amino-4-imidazol-1-ylbenzamide
CID 43448488
4-chloro-2-(2-methylimidazol-1-yl)benzamide
CID 63811813
2-(2-methylimidazol-1-yl)aniline;hydrochloride
CID 126802319
5-amino-2-(2-methylimidazol-1-yl)phenol
CID 82404649
3-amino-1-[3-chloro-4-(2-methylimidazol-1-yl)phenyl]propan-1-one
CID 117414134
3-methyl-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 114485936
3-amino-N-ethyl-4-(2-ethylimidazol-1-yl)benzamide
CID 82999412
4-fluoro-3-[(2-methylimidazol-1-yl)methyl]benzamide
CID 63811780

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2-methylimidazol-1-yl)benzamide?
The IUPAC name of 3-amino-4-(2-methylimidazol-1-yl)benzamide (CID 43448491) is 3-amino-4-(2-methylimidazol-1-yl)benzamide.
What is the SMILES notation for 3-amino-4-(2-methylimidazol-1-yl)benzamide?
The canonical SMILES for 3-amino-4-(2-methylimidazol-1-yl)benzamide is Cc1nccn1-c1ccc(C(N)=O)cc1N.
What is the InChIKey of 3-amino-4-(2-methylimidazol-1-yl)benzamide?
The InChIKey is LHJFGKZAJKGIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-7-14-4-5-15(7)10-3-2-8(11(13)16)6-9(10)12/h2-6H,12H2,1H3,(H2,13,16).
What are the key properties of 3-amino-4-(2-methylimidazol-1-yl)benzamide?
3-amino-4-(2-methylimidazol-1-yl)benzamide has a molecular weight of 216.24 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-methylimidazol-1-yl)benzamide is sourced from PubChem (CID 43448491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).