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

C18H17N3O — CID 780682

IUPAC4-methyl-N-(1-prop-2-enylbenzimidazol-2-yl)benzamide
SMILESC=CCn1c(NC(=O)c2ccc(C)cc2)nc2ccccc21
InChIInChI=1S/C18H17N3O/c1-3-12-21-16-7-5-4-6-15(16)19-18(21)20-17(22)14-10-8-13(2)9-11-14/h3-11H,1,12H2,2H3,(H,19,20,22)
InChIKeyLGLRJCZKMYQNKY-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.78
Rot. Bonds4

About 4-methyl-N-(1-prop-2-enylbenzimidazol-2-yl)benzamide

4-methyl-N-(1-prop-2-enylbenzimidazol-2-yl)benzamide (PubChem CID 780682) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-methyl-N-(1-prop-2-enylbenzimidazol-2-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(1-prop-2-enylbenzimidazol-2-yl)benzamide
PubChem CID780682
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name4-methyl-N-(1-prop-2-enylbenzimidazol-2-yl)benzamide
SMILESC=CCn1c(NC(=O)c2ccc(C)cc2)nc2ccccc21
InChIInChI=1S/C18H17N3O/c1-3-12-21-16-7-5-4-6-15(16)19-18(21)20-17(22)14-10-8-13(2)9-11-14/h3-11H,1,12H2,2H3,(H,19,20,22)
InChIKeyLGLRJCZKMYQNKY-UHFFFAOYSA-N
XLogP3.78
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.78
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 4-methyl-N-(1-prop-2-enylbenzimidazol-2-yl)benzamide?
The IUPAC name of 4-methyl-N-(1-prop-2-enylbenzimidazol-2-yl)benzamide (CID 780682) is 4-methyl-N-(1-prop-2-enylbenzimidazol-2-yl)benzamide.
What is the SMILES notation for 4-methyl-N-(1-prop-2-enylbenzimidazol-2-yl)benzamide?
The canonical SMILES for 4-methyl-N-(1-prop-2-enylbenzimidazol-2-yl)benzamide is C=CCn1c(NC(=O)c2ccc(C)cc2)nc2ccccc21.
What is the InChIKey of 4-methyl-N-(1-prop-2-enylbenzimidazol-2-yl)benzamide?
The InChIKey is LGLRJCZKMYQNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-3-12-21-16-7-5-4-6-15(16)19-18(21)20-17(22)14-10-8-13(2)9-11-14/h3-11H,1,12H2,2H3,(H,19,20,22).
What are the key properties of 4-methyl-N-(1-prop-2-enylbenzimidazol-2-yl)benzamide?
4-methyl-N-(1-prop-2-enylbenzimidazol-2-yl)benzamide has a molecular weight of 291.35 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-prop-2-enylbenzimidazol-2-yl)benzamide is sourced from PubChem (CID 780682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).