5-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpropyl)imidazol-4-amine

C15H19N3O — CID 62018689

IUPAC5-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpropyl)imidazol-4-amine
SMILESCC(C)Cn1cnc(-c2ccc3c(c2)CCO3)c1N
InChIInChI=1S/C15H19N3O/c1-10(2)8-18-9-17-14(15(18)16)12-3-4-13-11(7-12)5-6-19-13/h3-4,7,9-10H,5-6,8,16H2,1-2H3
InChIKeyCBTDVFSPGVQBIL-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.72
Rot. Bonds3

About 5-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpropyl)imidazol-4-amine

5-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpropyl)imidazol-4-amine (PubChem CID 62018689) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpropyl)imidazol-4-amine.

Molecular Properties

Compound Name5-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpropyl)imidazol-4-amine
PubChem CID62018689
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name5-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpropyl)imidazol-4-amine
SMILESCC(C)Cn1cnc(-c2ccc3c(c2)CCO3)c1N
InChIInChI=1S/C15H19N3O/c1-10(2)8-18-9-17-14(15(18)16)12-3-4-13-11(7-12)5-6-19-13/h3-4,7,9-10H,5-6,8,16H2,1-2H3
InChIKeyCBTDVFSPGVQBIL-UHFFFAOYSA-N
XLogP2.72
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-methyl-2,3-dihydroindol-5-yl)-3-(2-methylpropyl)imidazol-4-amine
CID 62095299
5-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(2-methylpropyl)imidazol-4-amine
CID 62018505
5-(4-methylphenyl)-3-(2-methylpropyl)imidazol-4-amine
CID 62018503
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-prop-2-ynylimidazol-4-amine
CID 62224700
3-(2,3-dihydro-1-benzofuran-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 66580503
3-(2-methylpropyl)-5-[3-(trifluoromethoxy)phenyl]imidazol-4-amine
CID 107105116
3-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyridine
CID 122202103
4-(3,4-dihydro-2H-chromen-6-yl)-5-propan-2-yl-1,3-oxazol-2-amine
CID 116832007
2-(2,3-dihydro-1-benzofuran-5-yl)-5-methylaniline
CID 82766457
1-[4-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-2-yl]propan-2-amine
CID 116897942
4-(3,4-dihydro-2H-chromen-6-yl)-6-methylpyrimidin-5-amine
CID 82477480
4-(2,3-dihydro-1-benzofuran-5-yl)-2-ethylaniline
CID 81287575

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpropyl)imidazol-4-amine?
The IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpropyl)imidazol-4-amine (CID 62018689) is 5-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpropyl)imidazol-4-amine.
What is the SMILES notation for 5-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpropyl)imidazol-4-amine?
The canonical SMILES for 5-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpropyl)imidazol-4-amine is CC(C)Cn1cnc(-c2ccc3c(c2)CCO3)c1N.
What is the InChIKey of 5-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpropyl)imidazol-4-amine?
The InChIKey is CBTDVFSPGVQBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10(2)8-18-9-17-14(15(18)16)12-3-4-13-11(7-12)5-6-19-13/h3-4,7,9-10H,5-6,8,16H2,1-2H3.
What are the key properties of 5-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpropyl)imidazol-4-amine?
5-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpropyl)imidazol-4-amine has a molecular weight of 257.34 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpropyl)imidazol-4-amine is sourced from PubChem (CID 62018689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).