2-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]propan-1-amine

C14H15N3O — CID 116876681

IUPAC2-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]propan-1-amine
SMILESCC(CN)c1ncc(-c2coc3ccccc23)[nH]1
InChIInChI=1S/C14H15N3O/c1-9(6-15)14-16-7-12(17-14)11-8-18-13-5-3-2-4-10(11)13/h2-5,7-9H,6,15H2,1H3,(H,16,17)
InChIKeyLTZBROZPLHXCJC-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.89
Rot. Bonds3

About 2-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]propan-1-amine

2-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]propan-1-amine (PubChem CID 116876681) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name2-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]propan-1-amine
PubChem CID116876681
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]propan-1-amine
SMILESCC(CN)c1ncc(-c2coc3ccccc23)[nH]1
InChIInChI=1S/C14H15N3O/c1-9(6-15)14-16-7-12(17-14)11-8-18-13-5-3-2-4-10(11)13/h2-5,7-9H,6,15H2,1H3,(H,16,17)
InChIKeyLTZBROZPLHXCJC-UHFFFAOYSA-N
XLogP2.89
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]butanenitrile
CID 116883190
2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]propan-1-amine
CID 65232799
[3-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine
CID 116882744
5-(1-benzofuran-3-yl)-1H-imidazole-2-carbonitrile
CID 116879947
[1-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]cyclobutyl]methanol
CID 116882462
2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]propan-1-amine
CID 65232619
2-[5-(5-ethyl-2-methoxyphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 116876649
3-[5-(furan-2-yl)-1H-imidazol-2-yl]butan-1-amine
CID 80544658
2-(5-propan-2-yl-1H-imidazol-2-yl)propan-1-amine
CID 79395187
2-(5-phenyl-1H-imidazol-2-yl)butan-1-amine
CID 65233105
3-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]butanoic acid
CID 116878808
2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 116876636

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]propan-1-amine?
The IUPAC name of 2-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]propan-1-amine (CID 116876681) is 2-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]propan-1-amine.
What is the SMILES notation for 2-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]propan-1-amine?
The canonical SMILES for 2-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]propan-1-amine is CC(CN)c1ncc(-c2coc3ccccc23)[nH]1.
What is the InChIKey of 2-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]propan-1-amine?
The InChIKey is LTZBROZPLHXCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-9(6-15)14-16-7-12(17-14)11-8-18-13-5-3-2-4-10(11)13/h2-5,7-9H,6,15H2,1H3,(H,16,17).
What are the key properties of 2-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]propan-1-amine?
2-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]propan-1-amine has a molecular weight of 241.29 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]propan-1-amine is sourced from PubChem (CID 116876681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).