N-(2,3-dihydro-1-benzofuran-3-yl)-5-methyl-1H-imidazol-2-amine

C12H13N3O — CID 106574438

IUPACN-(2,3-dihydro-1-benzofuran-3-yl)-5-methyl-1H-imidazol-2-amine
SMILESCc1cnc(NC2COc3ccccc32)[nH]1
InChIInChI=1S/C12H13N3O/c1-8-6-13-12(14-8)15-10-7-16-11-5-3-2-4-9(10)11/h2-6,10H,7H2,1H3,(H2,13,14,15)
InChIKeyVNSANXSCBDUVPP-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.26
Rot. Bonds2

About N-(2,3-dihydro-1-benzofuran-3-yl)-5-methyl-1H-imidazol-2-amine

N-(2,3-dihydro-1-benzofuran-3-yl)-5-methyl-1H-imidazol-2-amine (PubChem CID 106574438) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-3-yl)-5-methyl-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-3-yl)-5-methyl-1H-imidazol-2-amine
PubChem CID106574438
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN-(2,3-dihydro-1-benzofuran-3-yl)-5-methyl-1H-imidazol-2-amine
SMILESCc1cnc(NC2COc3ccccc32)[nH]1
InChIInChI=1S/C12H13N3O/c1-8-6-13-12(14-8)15-10-7-16-11-5-3-2-4-9(10)11/h2-6,10H,7H2,1H3,(H2,13,14,15)
InChIKeyVNSANXSCBDUVPP-UHFFFAOYSA-N
XLogP2.26
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2,3-dihydro-1-benzofuran-3-yl)-5-methyl-1H-imidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-dihydro-1-benzofuran-3-yl)-5,6-dimethylpyrazin-2-amine
CID 114475837
4-N-(2,3-dihydro-1-benzofuran-3-yl)-6-N-methylpyrimidine-4,6-diamine
CID 80835656
4-N-(2,3-dihydro-1-benzofuran-3-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80835746
5-tert-butyl-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-1,3,4-oxadiazol-2-amine
CID 97204483
5-tert-butyl-N-(2,3-dihydro-1-benzofuran-3-yl)-1,3,4-oxadiazol-2-amine
CID 72913825
3-chloro-1-N-(2,3-dihydro-1-benzofuran-3-yl)benzene-1,2-diamine
CID 104834591
N-(2,3-dihydro-1-benzofuran-3-yl)-6-ethoxy-2-methylpyrimidin-4-amine
CID 66326930
4-N-(2,3-dihydro-1-benzofuran-3-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80835565
4-N-(2,3-dihydro-1-benzofuran-3-yl)-2-N-methylpyridine-2,4-diamine
CID 113367866
4-N-(2,3-dihydro-1-benzofuran-3-yl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80836114
4-N-(2,3-dihydro-1-benzofuran-3-yl)quinoline-3,4-diamine
CID 103963345
N-(2,3-dihydro-1-benzofuran-3-yl)-2,3,4,5-tetrahydropyridin-6-amine
CID 79504361

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-3-yl)-5-methyl-1H-imidazol-2-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-3-yl)-5-methyl-1H-imidazol-2-amine (CID 106574438) is N-(2,3-dihydro-1-benzofuran-3-yl)-5-methyl-1H-imidazol-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-3-yl)-5-methyl-1H-imidazol-2-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-3-yl)-5-methyl-1H-imidazol-2-amine is Cc1cnc(NC2COc3ccccc32)[nH]1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-3-yl)-5-methyl-1H-imidazol-2-amine?
The InChIKey is VNSANXSCBDUVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8-6-13-12(14-8)15-10-7-16-11-5-3-2-4-9(10)11/h2-6,10H,7H2,1H3,(H2,13,14,15).
What are the key properties of N-(2,3-dihydro-1-benzofuran-3-yl)-5-methyl-1H-imidazol-2-amine?
N-(2,3-dihydro-1-benzofuran-3-yl)-5-methyl-1H-imidazol-2-amine has a molecular weight of 215.26 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-3-yl)-5-methyl-1H-imidazol-2-amine is sourced from PubChem (CID 106574438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).