N-(furan-2-ylmethyl)-1-methylbenzimidazol-2-amine

C13H13N3O — CID 828729

IUPACN-(furan-2-ylmethyl)-1-methylbenzimidazol-2-amine
SMILESCn1c(NCc2ccco2)nc2ccccc21
InChIInChI=1S/C13H13N3O/c1-16-12-7-3-2-6-11(12)15-13(16)14-9-10-5-4-8-17-10/h2-8H,9H2,1H3,(H,14,15)
InChIKeyUBNUCQQDFYUHQK-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.78
Rot. Bonds3

About N-(furan-2-ylmethyl)-1-methylbenzimidazol-2-amine

N-(furan-2-ylmethyl)-1-methylbenzimidazol-2-amine (PubChem CID 828729) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-methylbenzimidazol-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-methylbenzimidazol-2-amine
PubChem CID828729
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC NameN-(furan-2-ylmethyl)-1-methylbenzimidazol-2-amine
SMILESCn1c(NCc2ccco2)nc2ccccc21
InChIInChI=1S/C13H13N3O/c1-16-12-7-3-2-6-11(12)15-13(16)14-9-10-5-4-8-17-10/h2-8H,9H2,1H3,(H,14,15)
InChIKeyUBNUCQQDFYUHQK-UHFFFAOYSA-N
XLogP2.78
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-methylbenzimidazol-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)-1-methylbenzimidazol-2-amine (CID 828729) is N-(furan-2-ylmethyl)-1-methylbenzimidazol-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-methylbenzimidazol-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-1-methylbenzimidazol-2-amine is Cn1c(NCc2ccco2)nc2ccccc21.
What is the InChIKey of N-(furan-2-ylmethyl)-1-methylbenzimidazol-2-amine?
The InChIKey is UBNUCQQDFYUHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-16-12-7-3-2-6-11(12)15-13(16)14-9-10-5-4-8-17-10/h2-8H,9H2,1H3,(H,14,15).
What are the key properties of N-(furan-2-ylmethyl)-1-methylbenzimidazol-2-amine?
N-(furan-2-ylmethyl)-1-methylbenzimidazol-2-amine has a molecular weight of 227.27 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-methylbenzimidazol-2-amine is sourced from PubChem (CID 828729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).