3-amino-N-(1H-imidazol-2-ylmethyl)-2-methylbenzamide

C12H14N4O — CID 64518946

IUPAC3-amino-N-(1H-imidazol-2-ylmethyl)-2-methylbenzamide
SMILESCc1c(N)cccc1C(=O)NCc1ncc[nH]1
InChIInChI=1S/C12H14N4O/c1-8-9(3-2-4-10(8)13)12(17)16-7-11-14-5-6-15-11/h2-6H,7,13H2,1H3,(H,14,15)(H,16,17)
InChIKeyNOLLXWPLRABFED-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.23
Rot. Bonds3

About 3-amino-N-(1H-imidazol-2-ylmethyl)-2-methylbenzamide

3-amino-N-(1H-imidazol-2-ylmethyl)-2-methylbenzamide (PubChem CID 64518946) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-amino-N-(1H-imidazol-2-ylmethyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(1H-imidazol-2-ylmethyl)-2-methylbenzamide
PubChem CID64518946
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name3-amino-N-(1H-imidazol-2-ylmethyl)-2-methylbenzamide
SMILESCc1c(N)cccc1C(=O)NCc1ncc[nH]1
InChIInChI=1S/C12H14N4O/c1-8-9(3-2-4-10(8)13)12(17)16-7-11-14-5-6-15-11/h2-6H,7,13H2,1H3,(H,14,15)(H,16,17)
InChIKeyNOLLXWPLRABFED-UHFFFAOYSA-N
XLogP1.23
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.23
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

6-hydrazinyl-N-(1H-imidazol-2-ylmethyl)pyridine-2-carboxamide
CID 64523807
4-amino-2-chloro-N-(1H-imidazol-2-ylmethyl)benzamide
CID 64517590
3-amino-2-methyl-N-prop-2-enylbenzamide
CID 28723067
2-fluoro-N-(1H-imidazol-2-ylmethyl)-6-iodobenzamide
CID 71918640
2-[2-(1H-imidazol-2-ylmethylamino)-2-oxoethyl]benzoic acid
CID 104601596
6-amino-N-(1H-imidazol-2-ylmethyl)pyridine-3-carboxamide
CID 64525972
3-amino-4-chloro-N-(1H-imidazol-2-ylmethyl)benzamide
CID 64519520
2-(3-aminophenyl)-N-(1H-imidazol-2-ylmethyl)propanamide
CID 106591515
6-amino-N-(1H-imidazol-2-ylmethyl)-1H-indole-3-carboxamide
CID 64518943
2-(4-aminophenyl)-N-(1H-imidazol-2-ylmethyl)acetamide
CID 64517782
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbenzamide
CID 106032732
N-(1H-imidazol-2-ylmethyl)-3-methoxypyridine-4-carboxamide
CID 105063994

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1H-imidazol-2-ylmethyl)-2-methylbenzamide?
The IUPAC name of 3-amino-N-(1H-imidazol-2-ylmethyl)-2-methylbenzamide (CID 64518946) is 3-amino-N-(1H-imidazol-2-ylmethyl)-2-methylbenzamide.
What is the SMILES notation for 3-amino-N-(1H-imidazol-2-ylmethyl)-2-methylbenzamide?
The canonical SMILES for 3-amino-N-(1H-imidazol-2-ylmethyl)-2-methylbenzamide is Cc1c(N)cccc1C(=O)NCc1ncc[nH]1.
What is the InChIKey of 3-amino-N-(1H-imidazol-2-ylmethyl)-2-methylbenzamide?
The InChIKey is NOLLXWPLRABFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-8-9(3-2-4-10(8)13)12(17)16-7-11-14-5-6-15-11/h2-6H,7,13H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 3-amino-N-(1H-imidazol-2-ylmethyl)-2-methylbenzamide?
3-amino-N-(1H-imidazol-2-ylmethyl)-2-methylbenzamide has a molecular weight of 230.27 g/mol, XLogP of 1.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1H-imidazol-2-ylmethyl)-2-methylbenzamide is sourced from PubChem (CID 64518946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).