[2-(5-methylfuran-2-yl)-1H-benzimidazol-4-yl]methanamine

C13H13N3O — CID 104721322

IUPAC[2-(5-methylfuran-2-yl)-1H-benzimidazol-4-yl]methanamine
SMILESCc1ccc(-c2nc3c(CN)cccc3[nH]2)o1
InChIInChI=1S/C13H13N3O/c1-8-5-6-11(17-8)13-15-10-4-2-3-9(7-14)12(10)16-13/h2-6H,7,14H2,1H3,(H,15,16)
InChIKeyWORZEXWEIPRLEC-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.59
Rot. Bonds2

About [2-(5-methylfuran-2-yl)-1H-benzimidazol-4-yl]methanamine

[2-(5-methylfuran-2-yl)-1H-benzimidazol-4-yl]methanamine (PubChem CID 104721322) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is [2-(5-methylfuran-2-yl)-1H-benzimidazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(5-methylfuran-2-yl)-1H-benzimidazol-4-yl]methanamine
PubChem CID104721322
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name[2-(5-methylfuran-2-yl)-1H-benzimidazol-4-yl]methanamine
SMILESCc1ccc(-c2nc3c(CN)cccc3[nH]2)o1
InChIInChI=1S/C13H13N3O/c1-8-5-6-11(17-8)13-15-10-4-2-3-9(7-14)12(10)16-13/h2-6H,7,14H2,1H3,(H,15,16)
InChIKeyWORZEXWEIPRLEC-UHFFFAOYSA-N
XLogP2.59
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methylfuran-2-yl)-1H-benzimidazol-4-amine
CID 63695093
[2-(furan-2-yl)-1H-benzimidazol-4-yl]methanamine
CID 104721099
[2-(2,6-difluorophenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721233
[2-(3-methylphenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721321
2-(5-methylfuran-2-yl)-1H-imidazo[4,5-b]pyridine
CID 14369059
[2-(4-methylsulfanylphenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721162
[2-(3,5-difluorophenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721059
[2-(3-ethyl-6-methylpyridazin-4-yl)-1H-benzimidazol-4-yl]methanamine
CID 104721029
[2-(2,3,4-trifluorophenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721024
[2-(5-chlorothiophen-2-yl)-1H-benzimidazol-4-yl]methanamine
CID 104721055
[2-(2-methoxy-3-pyridinyl)-1H-benzimidazol-4-yl]methanamine
CID 104721137
(2-isoquinolin-1-yl-1H-benzimidazol-4-yl)methanamine
CID 104721160

Frequently Asked Questions

What is the IUPAC name of [2-(5-methylfuran-2-yl)-1H-benzimidazol-4-yl]methanamine?
The IUPAC name of [2-(5-methylfuran-2-yl)-1H-benzimidazol-4-yl]methanamine (CID 104721322) is [2-(5-methylfuran-2-yl)-1H-benzimidazol-4-yl]methanamine.
What is the SMILES notation for [2-(5-methylfuran-2-yl)-1H-benzimidazol-4-yl]methanamine?
The canonical SMILES for [2-(5-methylfuran-2-yl)-1H-benzimidazol-4-yl]methanamine is Cc1ccc(-c2nc3c(CN)cccc3[nH]2)o1.
What is the InChIKey of [2-(5-methylfuran-2-yl)-1H-benzimidazol-4-yl]methanamine?
The InChIKey is WORZEXWEIPRLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-8-5-6-11(17-8)13-15-10-4-2-3-9(7-14)12(10)16-13/h2-6H,7,14H2,1H3,(H,15,16).
What are the key properties of [2-(5-methylfuran-2-yl)-1H-benzimidazol-4-yl]methanamine?
[2-(5-methylfuran-2-yl)-1H-benzimidazol-4-yl]methanamine has a molecular weight of 227.27 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methylfuran-2-yl)-1H-benzimidazol-4-yl]methanamine is sourced from PubChem (CID 104721322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).