2-amino-N-(1H-imidazol-2-yl)-5-methylbenzamide

C11H12N4O — CID 63563942

IUPAC2-amino-N-(1H-imidazol-2-yl)-5-methylbenzamide
SMILESCc1ccc(N)c(C(=O)Nc2ncc[nH]2)c1
InChIInChI=1S/C11H12N4O/c1-7-2-3-9(12)8(6-7)10(16)15-11-13-4-5-14-11/h2-6H,12H2,1H3,(H2,13,14,15,16)
InChIKeyGVCJZAUPZLVNTP-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.55
Rot. Bonds2

About 2-amino-N-(1H-imidazol-2-yl)-5-methylbenzamide

2-amino-N-(1H-imidazol-2-yl)-5-methylbenzamide (PubChem CID 63563942) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-amino-N-(1H-imidazol-2-yl)-5-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(1H-imidazol-2-yl)-5-methylbenzamide
PubChem CID63563942
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name2-amino-N-(1H-imidazol-2-yl)-5-methylbenzamide
SMILESCc1ccc(N)c(C(=O)Nc2ncc[nH]2)c1
InChIInChI=1S/C11H12N4O/c1-7-2-3-9(12)8(6-7)10(16)15-11-13-4-5-14-11/h2-6H,12H2,1H3,(H2,13,14,15,16)
InChIKeyGVCJZAUPZLVNTP-UHFFFAOYSA-N
XLogP1.55
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-imidazol-2-yl)-5-methyl-2-nitrobenzamide
CID 65461031
N-(1H-imidazol-2-yl)-2-methylbenzamide
CID 60968635
N-(1H-imidazol-2-yl)-6-methyl-1-benzofuran-2-carboxamide
CID 112524336
2-hydroxy-N-(1H-imidazol-2-yl)-3-methylbenzamide
CID 60968361
N-(1H-imidazol-2-yl)-2,3,4,5,6-pentamethylbenzamide
CID 55212567
2-amino-3-chloro-N-(1H-imidazol-2-yl)-5-nitrobenzamide
CID 107200538
6-amino-N-(1H-imidazol-2-yl)-1H-indole-3-carboxamide
CID 63562915
3-amino-N-(1H-imidazol-2-yl)-1H-pyrazole-5-carboxamide
CID 64525652
2-amino-N-(2,6-dimethylphenyl)-5-methylbenzamide
CID 55083036
2-chloro-N-(1H-imidazol-2-yl)-4-nitrobenzamide
CID 60764792
2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methylbenzamide
CID 65486415
2-amino-5-methyl-N-(1,2-oxazol-3-yl)benzamide
CID 62902191

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1H-imidazol-2-yl)-5-methylbenzamide?
The IUPAC name of 2-amino-N-(1H-imidazol-2-yl)-5-methylbenzamide (CID 63563942) is 2-amino-N-(1H-imidazol-2-yl)-5-methylbenzamide.
What is the SMILES notation for 2-amino-N-(1H-imidazol-2-yl)-5-methylbenzamide?
The canonical SMILES for 2-amino-N-(1H-imidazol-2-yl)-5-methylbenzamide is Cc1ccc(N)c(C(=O)Nc2ncc[nH]2)c1.
What is the InChIKey of 2-amino-N-(1H-imidazol-2-yl)-5-methylbenzamide?
The InChIKey is GVCJZAUPZLVNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-7-2-3-9(12)8(6-7)10(16)15-11-13-4-5-14-11/h2-6H,12H2,1H3,(H2,13,14,15,16).
What are the key properties of 2-amino-N-(1H-imidazol-2-yl)-5-methylbenzamide?
2-amino-N-(1H-imidazol-2-yl)-5-methylbenzamide has a molecular weight of 216.24 g/mol, XLogP of 1.55, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1H-imidazol-2-yl)-5-methylbenzamide is sourced from PubChem (CID 63563942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).