1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-methyl-N-propylimidazol-2-amine

C16H20BrN3O — CID 106580569

IUPAC1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-methyl-N-propylimidazol-2-amine
SMILESCCCNc1nc(C)cn1Cc1cc(Br)cc2c1OCC2
InChIInChI=1S/C16H20BrN3O/c1-3-5-18-16-19-11(2)9-20(16)10-13-8-14(17)7-12-4-6-21-15(12)13/h7-9H,3-6,10H2,1-2H3,(H,18,19)
InChIKeyDHKWJDXHKVEQCP-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.76
Rot. Bonds5

About 1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-methyl-N-propylimidazol-2-amine

1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-methyl-N-propylimidazol-2-amine (PubChem CID 106580569) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-methyl-N-propylimidazol-2-amine.

Molecular Properties

Compound Name1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-methyl-N-propylimidazol-2-amine
PubChem CID106580569
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-methyl-N-propylimidazol-2-amine
SMILESCCCNc1nc(C)cn1Cc1cc(Br)cc2c1OCC2
InChIInChI=1S/C16H20BrN3O/c1-3-5-18-16-19-11(2)9-20(16)10-13-8-14(17)7-12-4-6-21-15(12)13/h7-9H,3-6,10H2,1-2H3,(H,18,19)
InChIKeyDHKWJDXHKVEQCP-UHFFFAOYSA-N
XLogP3.76
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-methyl-N-propylimidazol-2-amine?
The IUPAC name of 1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-methyl-N-propylimidazol-2-amine (CID 106580569) is 1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-methyl-N-propylimidazol-2-amine.
What is the SMILES notation for 1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-methyl-N-propylimidazol-2-amine?
The canonical SMILES for 1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-methyl-N-propylimidazol-2-amine is CCCNc1nc(C)cn1Cc1cc(Br)cc2c1OCC2.
What is the InChIKey of 1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-methyl-N-propylimidazol-2-amine?
The InChIKey is DHKWJDXHKVEQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-3-5-18-16-19-11(2)9-20(16)10-13-8-14(17)7-12-4-6-21-15(12)13/h7-9H,3-6,10H2,1-2H3,(H,18,19).
What are the key properties of 1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-methyl-N-propylimidazol-2-amine?
1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-methyl-N-propylimidazol-2-amine has a molecular weight of 350.26 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-methyl-N-propylimidazol-2-amine is sourced from PubChem (CID 106580569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).