2-(2-methylbenzimidazol-1-yl)-N-prop-2-enylpropanamide

C14H17N3O — CID 78913706

IUPAC2-(2-methylbenzimidazol-1-yl)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)n1c(C)nc2ccccc21
InChIInChI=1S/C14H17N3O/c1-4-9-15-14(18)10(2)17-11(3)16-12-7-5-6-8-13(12)17/h4-8,10H,1,9H2,2-3H3,(H,15,18)
InChIKeyKKOKBNPAYHAVTI-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.21
Rot. Bonds4

About 2-(2-methylbenzimidazol-1-yl)-N-prop-2-enylpropanamide

2-(2-methylbenzimidazol-1-yl)-N-prop-2-enylpropanamide (PubChem CID 78913706) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(2-methylbenzimidazol-1-yl)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-(2-methylbenzimidazol-1-yl)-N-prop-2-enylpropanamide
PubChem CID78913706
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-(2-methylbenzimidazol-1-yl)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)n1c(C)nc2ccccc21
InChIInChI=1S/C14H17N3O/c1-4-9-15-14(18)10(2)17-11(3)16-12-7-5-6-8-13(12)17/h4-8,10H,1,9H2,2-3H3,(H,15,18)
InChIKeyKKOKBNPAYHAVTI-UHFFFAOYSA-N
XLogP2.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-methylbenzimidazol-1-yl)-N-prop-2-enylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbenzimidazol-1-yl)-N-prop-2-enylpropanamide?
The IUPAC name of 2-(2-methylbenzimidazol-1-yl)-N-prop-2-enylpropanamide (CID 78913706) is 2-(2-methylbenzimidazol-1-yl)-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-(2-methylbenzimidazol-1-yl)-N-prop-2-enylpropanamide?
The canonical SMILES for 2-(2-methylbenzimidazol-1-yl)-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)n1c(C)nc2ccccc21.
What is the InChIKey of 2-(2-methylbenzimidazol-1-yl)-N-prop-2-enylpropanamide?
The InChIKey is KKOKBNPAYHAVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-4-9-15-14(18)10(2)17-11(3)16-12-7-5-6-8-13(12)17/h4-8,10H,1,9H2,2-3H3,(H,15,18).
What are the key properties of 2-(2-methylbenzimidazol-1-yl)-N-prop-2-enylpropanamide?
2-(2-methylbenzimidazol-1-yl)-N-prop-2-enylpropanamide has a molecular weight of 243.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbenzimidazol-1-yl)-N-prop-2-enylpropanamide is sourced from PubChem (CID 78913706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).