N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methyl-1-benzofuran-5-amine

C13H15N3O — CID 25168454

IUPACN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methyl-1-benzofuran-5-amine
SMILESCc1c(NCC2=NCCN2)ccc2occc12
InChIInChI=1S/C13H15N3O/c1-9-10-4-7-17-12(10)3-2-11(9)16-8-13-14-5-6-15-13/h2-4,7,16H,5-6,8H2,1H3,(H,14,15)
InChIKeyXHEHPLBSJOWHRL-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.15
Rot. Bonds3

About N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methyl-1-benzofuran-5-amine

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methyl-1-benzofuran-5-amine (PubChem CID 25168454) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methyl-1-benzofuran-5-amine.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methyl-1-benzofuran-5-amine
PubChem CID25168454
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methyl-1-benzofuran-5-amine
SMILESCc1c(NCC2=NCCN2)ccc2occc12
InChIInChI=1S/C13H15N3O/c1-9-10-4-7-17-12(10)3-2-11(9)16-8-13-14-5-6-15-13/h2-4,7,16H,5-6,8H2,1H3,(H,14,15)
InChIKeyXHEHPLBSJOWHRL-UHFFFAOYSA-N
XLogP2.15
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7,7,9-Trimethyl-6,7-dihydrofuro[3,2-f]quinoline
CID 129865029
1-(7-Fluoro-1-benzofuran-5-yl)-3-methylpiperazine
CID 22277365
(2R)-1-(7-fluoro-1-benzofuran-5-yl)-2-methylpiperazine
CID 23402458
(2S)-1-(7-fluoro-1-benzofuran-5-yl)-2-methylpiperazine
CID 23402460
2-[2-[2-[5-(2,3-dihydropyrrol-1-yl)-1-benzofuran-7-yl]ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole
CID 143153184
1-(4-Methyl-5-piperazin-1-yl-1-benzofuran-2-yl)ethanone;2,2,2-trifluoroacetaldehyde
CID 159205067
N-Methyl-5-benzofuranamine
CID 22312682
(3R)-1-(7-fluoro-1-benzofuran-5-yl)-3-methylpiperazine
CID 23402462
(3S)-1-(7-fluoro-1-benzofuran-5-yl)-3-methylpiperazine
CID 23402464
N-methyl-4-(7-oxo-6,8-dihydrofuro[3,2-g][1]benzazepin-1-yl)butanamide
CID 9948193
N-[4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-benzofuran-7-yl]-methanesulfonamide
CID 9994532
1-(5-benzofuranyl)Piperazine
CID 11030890

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methyl-1-benzofuran-5-amine?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methyl-1-benzofuran-5-amine (CID 25168454) is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methyl-1-benzofuran-5-amine.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methyl-1-benzofuran-5-amine?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methyl-1-benzofuran-5-amine is Cc1c(NCC2=NCCN2)ccc2occc12.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methyl-1-benzofuran-5-amine?
The InChIKey is XHEHPLBSJOWHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-10-4-7-17-12(10)3-2-11(9)16-8-13-14-5-6-15-13/h2-4,7,16H,5-6,8H2,1H3,(H,14,15).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methyl-1-benzofuran-5-amine?
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methyl-1-benzofuran-5-amine has a molecular weight of 229.28 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methyl-1-benzofuran-5-amine is sourced from PubChem (CID 25168454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).