N-(1-prop-2-enylbenzimidazol-2-yl)benzamide

C17H15N3O — CID 745085

IUPACN-(1-prop-2-enylbenzimidazol-2-yl)benzamide
SMILESC=CCn1c(NC(=O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C17H15N3O/c1-2-12-20-15-11-7-6-10-14(15)18-17(20)19-16(21)13-8-4-3-5-9-13/h2-11H,1,12H2,(H,18,19,21)
InChIKeyIMVGSZDYBWYQPU-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.47
Rot. Bonds4

About N-(1-prop-2-enylbenzimidazol-2-yl)benzamide

N-(1-prop-2-enylbenzimidazol-2-yl)benzamide (PubChem CID 745085) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is N-(1-prop-2-enylbenzimidazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(1-prop-2-enylbenzimidazol-2-yl)benzamide
PubChem CID745085
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC NameN-(1-prop-2-enylbenzimidazol-2-yl)benzamide
SMILESC=CCn1c(NC(=O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C17H15N3O/c1-2-12-20-15-11-7-6-10-14(15)18-17(20)19-16(21)13-8-4-3-5-9-13/h2-11H,1,12H2,(H,18,19,21)
InChIKeyIMVGSZDYBWYQPU-UHFFFAOYSA-N
XLogP3.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)benzamide?
The IUPAC name of N-(1-prop-2-enylbenzimidazol-2-yl)benzamide (CID 745085) is N-(1-prop-2-enylbenzimidazol-2-yl)benzamide.
What is the SMILES notation for N-(1-prop-2-enylbenzimidazol-2-yl)benzamide?
The canonical SMILES for N-(1-prop-2-enylbenzimidazol-2-yl)benzamide is C=CCn1c(NC(=O)c2ccccc2)nc2ccccc21.
What is the InChIKey of N-(1-prop-2-enylbenzimidazol-2-yl)benzamide?
The InChIKey is IMVGSZDYBWYQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-2-12-20-15-11-7-6-10-14(15)18-17(20)19-16(21)13-8-4-3-5-9-13/h2-11H,1,12H2,(H,18,19,21).
What are the key properties of N-(1-prop-2-enylbenzimidazol-2-yl)benzamide?
N-(1-prop-2-enylbenzimidazol-2-yl)benzamide has a molecular weight of 277.33 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-prop-2-enylbenzimidazol-2-yl)benzamide is sourced from PubChem (CID 745085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).