N-(1-prop-2-enylbenzimidazol-2-yl)furan-2-carboxamide

C15H13N3O2 — CID 873118

IUPACN-(1-prop-2-enylbenzimidazol-2-yl)furan-2-carboxamide
SMILESC=CCn1c(NC(=O)c2ccco2)nc2ccccc21
InChIInChI=1S/C15H13N3O2/c1-2-9-18-12-7-4-3-6-11(12)16-15(18)17-14(19)13-8-5-10-20-13/h2-8,10H,1,9H2,(H,16,17,19)
InChIKeyWGLQKWOWWURCPS-UHFFFAOYSA-N
MW267.29 g/mol
LogP3.07
Rot. Bonds4

About N-(1-prop-2-enylbenzimidazol-2-yl)furan-2-carboxamide

N-(1-prop-2-enylbenzimidazol-2-yl)furan-2-carboxamide (PubChem CID 873118) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-(1-prop-2-enylbenzimidazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(1-prop-2-enylbenzimidazol-2-yl)furan-2-carboxamide
PubChem CID873118
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC NameN-(1-prop-2-enylbenzimidazol-2-yl)furan-2-carboxamide
SMILESC=CCn1c(NC(=O)c2ccco2)nc2ccccc21
InChIInChI=1S/C15H13N3O2/c1-2-9-18-12-7-4-3-6-11(12)16-15(18)17-14(19)13-8-5-10-20-13/h2-8,10H,1,9H2,(H,16,17,19)
InChIKeyWGLQKWOWWURCPS-UHFFFAOYSA-N
XLogP3.07
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 53.07
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-(1-prop-2-enylbenzimidazol-2-yl)furan-2-carboxamide?
The IUPAC name of N-(1-prop-2-enylbenzimidazol-2-yl)furan-2-carboxamide (CID 873118) is N-(1-prop-2-enylbenzimidazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(1-prop-2-enylbenzimidazol-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(1-prop-2-enylbenzimidazol-2-yl)furan-2-carboxamide is C=CCn1c(NC(=O)c2ccco2)nc2ccccc21.
What is the InChIKey of N-(1-prop-2-enylbenzimidazol-2-yl)furan-2-carboxamide?
The InChIKey is WGLQKWOWWURCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-2-9-18-12-7-4-3-6-11(12)16-15(18)17-14(19)13-8-5-10-20-13/h2-8,10H,1,9H2,(H,16,17,19).
What are the key properties of N-(1-prop-2-enylbenzimidazol-2-yl)furan-2-carboxamide?
N-(1-prop-2-enylbenzimidazol-2-yl)furan-2-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-prop-2-enylbenzimidazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 873118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).