N-(furan-2-ylmethyl)-1H-benzimidazol-2-amine

C12H11N3O — CID 923826

IUPACN-(furan-2-ylmethyl)-1H-benzimidazol-2-amine
SMILESc1coc(CNc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C12H11N3O/c1-2-6-11-10(5-1)14-12(15-11)13-8-9-4-3-7-16-9/h1-7H,8H2,(H2,13,14,15)
InChIKeyVVXTVMPZTWGDLF-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.77
Rot. Bonds3

About N-(furan-2-ylmethyl)-1H-benzimidazol-2-amine

N-(furan-2-ylmethyl)-1H-benzimidazol-2-amine (PubChem CID 923826) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1H-benzimidazol-2-amine
PubChem CID923826
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC NameN-(furan-2-ylmethyl)-1H-benzimidazol-2-amine
SMILESc1coc(CNc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C12H11N3O/c1-2-6-11-10(5-1)14-12(15-11)13-8-9-4-3-7-16-9/h1-7H,8H2,(H2,13,14,15)
InChIKeyVVXTVMPZTWGDLF-UHFFFAOYSA-N
XLogP2.77
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1H-benzimidazol-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)-1H-benzimidazol-2-amine (CID 923826) is N-(furan-2-ylmethyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1H-benzimidazol-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-1H-benzimidazol-2-amine is c1coc(CNc2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-1H-benzimidazol-2-amine?
The InChIKey is VVXTVMPZTWGDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c1-2-6-11-10(5-1)14-12(15-11)13-8-9-4-3-7-16-9/h1-7H,8H2,(H2,13,14,15).
What are the key properties of N-(furan-2-ylmethyl)-1H-benzimidazol-2-amine?
N-(furan-2-ylmethyl)-1H-benzimidazol-2-amine has a molecular weight of 213.24 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 923826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).