(2-amino-5-methoxyphenyl)-(2,3-dimethylimidazol-4-yl)methanone

C13H15N3O2 — CID 114283501

IUPAC(2-amino-5-methoxyphenyl)-(2,3-dimethylimidazol-4-yl)methanone
SMILESCOc1ccc(N)c(C(=O)c2cnc(C)n2C)c1
InChIInChI=1S/C13H15N3O2/c1-8-15-7-12(16(8)2)13(17)10-6-9(18-3)4-5-11(10)14/h4-7H,14H2,1-3H3
InChIKeyKQHXHYOVRRGXKE-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.55
Rot. Bonds3

About (2-amino-5-methoxyphenyl)-(2,3-dimethylimidazol-4-yl)methanone

(2-amino-5-methoxyphenyl)-(2,3-dimethylimidazol-4-yl)methanone (PubChem CID 114283501) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is (2-amino-5-methoxyphenyl)-(2,3-dimethylimidazol-4-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-methoxyphenyl)-(2,3-dimethylimidazol-4-yl)methanone
PubChem CID114283501
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name(2-amino-5-methoxyphenyl)-(2,3-dimethylimidazol-4-yl)methanone
SMILESCOc1ccc(N)c(C(=O)c2cnc(C)n2C)c1
InChIInChI=1S/C13H15N3O2/c1-8-15-7-12(16(8)2)13(17)10-6-9(18-3)4-5-11(10)14/h4-7H,14H2,1-3H3
InChIKeyKQHXHYOVRRGXKE-UHFFFAOYSA-N
XLogP1.55
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-amino-5-methoxyphenyl)-(1-methylpyrazol-4-yl)methanone
CID 116602543
(2-amino-5-methoxyphenyl)-pyridin-2-ylmethanone
CID 105485471
2-amino-5-methoxybenzoic acid;hydrochloride
CID 15618229
methyl 2-amino-5-methoxybenzoate
CID 13052275
2-amino-5-methoxybenzamide;ethane
CID 142071126
(2-amino-5-methoxyphenyl)-(2-methylthiophen-3-yl)methanone
CID 102839622
(2-amino-5-methoxyphenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone
CID 114670773
2-amino-5-methoxy-N-pyrimidin-2-ylbenzamide
CID 54878484
5-methoxy-2-(2-methylimidazol-1-yl)benzoic acid
CID 84695425
(2-amino-5-methoxyphenyl)-isoquinolin-8-ylmethanone
CID 103133497
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-5-methoxybenzamide
CID 83166414
[2-(2-aminoimidazol-1-yl)-5-methoxyphenyl]-phenylmethanone
CID 70102383

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-methoxyphenyl)-(2,3-dimethylimidazol-4-yl)methanone?
The IUPAC name of (2-amino-5-methoxyphenyl)-(2,3-dimethylimidazol-4-yl)methanone (CID 114283501) is (2-amino-5-methoxyphenyl)-(2,3-dimethylimidazol-4-yl)methanone.
What is the SMILES notation for (2-amino-5-methoxyphenyl)-(2,3-dimethylimidazol-4-yl)methanone?
The canonical SMILES for (2-amino-5-methoxyphenyl)-(2,3-dimethylimidazol-4-yl)methanone is COc1ccc(N)c(C(=O)c2cnc(C)n2C)c1.
What is the InChIKey of (2-amino-5-methoxyphenyl)-(2,3-dimethylimidazol-4-yl)methanone?
The InChIKey is KQHXHYOVRRGXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8-15-7-12(16(8)2)13(17)10-6-9(18-3)4-5-11(10)14/h4-7H,14H2,1-3H3.
What are the key properties of (2-amino-5-methoxyphenyl)-(2,3-dimethylimidazol-4-yl)methanone?
(2-amino-5-methoxyphenyl)-(2,3-dimethylimidazol-4-yl)methanone has a molecular weight of 245.28 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-methoxyphenyl)-(2,3-dimethylimidazol-4-yl)methanone is sourced from PubChem (CID 114283501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).