[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-benzimidazol-4-yl]methanamine

C16H15N3O — CID 104721133

IUPAC[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-benzimidazol-4-yl]methanamine
SMILESNCc1cccc2[nH]c(-c3ccc4c(c3)CCO4)nc12
InChIInChI=1S/C16H15N3O/c17-9-12-2-1-3-13-15(12)19-16(18-13)11-4-5-14-10(8-11)6-7-20-14/h1-5,8H,6-7,9,17H2,(H,18,19)
InChIKeyUPCZUTHCIAWVEB-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.62
Rot. Bonds2

About [2-(2,3-dihydro-1-benzofuran-5-yl)-1H-benzimidazol-4-yl]methanamine

[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-benzimidazol-4-yl]methanamine (PubChem CID 104721133) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is [2-(2,3-dihydro-1-benzofuran-5-yl)-1H-benzimidazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-benzimidazol-4-yl]methanamine
PubChem CID104721133
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-benzimidazol-4-yl]methanamine
SMILESNCc1cccc2[nH]c(-c3ccc4c(c3)CCO4)nc12
InChIInChI=1S/C16H15N3O/c17-9-12-2-1-3-13-15(12)19-16(18-13)11-4-5-14-10(8-11)6-7-20-14/h1-5,8H,6-7,9,17H2,(H,18,19)
InChIKeyUPCZUTHCIAWVEB-UHFFFAOYSA-N
XLogP2.62
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-methylphenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721321
[2-(4-methylsulfanylphenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721162
[3-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methanamine
CID 54910506
1-[2-(2,3-dihydro-1-benzofuran-5-yl)-3H-benzimidazol-5-yl]-2-hydroxyethanone
CID 158401557
[2-(2,6-difluorophenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721233
4,5-bis(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluorophenyl)-1H-imidazole
CID 139775453
[2-(3-ethyl-6-methylpyridazin-4-yl)-1H-benzimidazol-4-yl]methanamine
CID 104721029
5-(2,3-dihydro-1-benzofuran-5-yl)-2-methyl-1H-1,2,4-triazole-3-thione
CID 104601953
8-(2,3-dihydro-1-benzofuran-5-yl)-3,7-dihydropurine-2,6-dione
CID 115600454
4,5-bis(2,3-dihydro-1-benzofuran-5-yl)-1,3-dihydroimidazole-2-thione
CID 139775443
2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 115938226
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluoro-1H-benzimidazole
CID 115911892

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1-benzofuran-5-yl)-1H-benzimidazol-4-yl]methanamine?
The IUPAC name of [2-(2,3-dihydro-1-benzofuran-5-yl)-1H-benzimidazol-4-yl]methanamine (CID 104721133) is [2-(2,3-dihydro-1-benzofuran-5-yl)-1H-benzimidazol-4-yl]methanamine.
What is the SMILES notation for [2-(2,3-dihydro-1-benzofuran-5-yl)-1H-benzimidazol-4-yl]methanamine?
The canonical SMILES for [2-(2,3-dihydro-1-benzofuran-5-yl)-1H-benzimidazol-4-yl]methanamine is NCc1cccc2[nH]c(-c3ccc4c(c3)CCO4)nc12.
What is the InChIKey of [2-(2,3-dihydro-1-benzofuran-5-yl)-1H-benzimidazol-4-yl]methanamine?
The InChIKey is UPCZUTHCIAWVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c17-9-12-2-1-3-13-15(12)19-16(18-13)11-4-5-14-10(8-11)6-7-20-14/h1-5,8H,6-7,9,17H2,(H,18,19).
What are the key properties of [2-(2,3-dihydro-1-benzofuran-5-yl)-1H-benzimidazol-4-yl]methanamine?
[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-benzimidazol-4-yl]methanamine has a molecular weight of 265.32 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydro-1-benzofuran-5-yl)-1H-benzimidazol-4-yl]methanamine is sourced from PubChem (CID 104721133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).