N-(furan-2-ylmethyl)-1-prop-2-enylbenzimidazol-2-amine

C15H15N3O — CID 3163617

IUPACN-(furan-2-ylmethyl)-1-prop-2-enylbenzimidazol-2-amine
SMILESC=CCn1c(NCc2ccco2)nc2ccccc21
InChIInChI=1S/C15H15N3O/c1-2-9-18-14-8-4-3-7-13(14)17-15(18)16-11-12-6-5-10-19-12/h2-8,10H,1,9,11H2,(H,16,17)
InChIKeyALEUHBFIWYNSSM-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.43
Rot. Bonds5

About N-(furan-2-ylmethyl)-1-prop-2-enylbenzimidazol-2-amine

N-(furan-2-ylmethyl)-1-prop-2-enylbenzimidazol-2-amine (PubChem CID 3163617) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-prop-2-enylbenzimidazol-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-prop-2-enylbenzimidazol-2-amine
PubChem CID3163617
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC NameN-(furan-2-ylmethyl)-1-prop-2-enylbenzimidazol-2-amine
SMILESC=CCn1c(NCc2ccco2)nc2ccccc21
InChIInChI=1S/C15H15N3O/c1-2-9-18-14-8-4-3-7-13(14)17-15(18)16-11-12-6-5-10-19-12/h2-8,10H,1,9,11H2,(H,16,17)
InChIKeyALEUHBFIWYNSSM-UHFFFAOYSA-N
XLogP3.43
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-prop-2-enylbenzimidazol-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)-1-prop-2-enylbenzimidazol-2-amine (CID 3163617) is N-(furan-2-ylmethyl)-1-prop-2-enylbenzimidazol-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-prop-2-enylbenzimidazol-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-1-prop-2-enylbenzimidazol-2-amine is C=CCn1c(NCc2ccco2)nc2ccccc21.
What is the InChIKey of N-(furan-2-ylmethyl)-1-prop-2-enylbenzimidazol-2-amine?
The InChIKey is ALEUHBFIWYNSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-2-9-18-14-8-4-3-7-13(14)17-15(18)16-11-12-6-5-10-19-12/h2-8,10H,1,9,11H2,(H,16,17).
What are the key properties of N-(furan-2-ylmethyl)-1-prop-2-enylbenzimidazol-2-amine?
N-(furan-2-ylmethyl)-1-prop-2-enylbenzimidazol-2-amine has a molecular weight of 253.31 g/mol, XLogP of 3.43, 5 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-prop-2-enylbenzimidazol-2-amine is sourced from PubChem (CID 3163617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).