2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pent-2-enamide

C15H19N3O — CID 76861363

IUPAC2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pent-2-enamide
SMILESCCC=C(C)C(=O)NCc1nc2ccccc2n1C
InChIInChI=1S/C15H19N3O/c1-4-7-11(2)15(19)16-10-14-17-12-8-5-6-9-13(12)18(14)3/h5-9H,4,10H2,1-3H3,(H,16,19)
InChIKeyRMHNXCDELWZYLW-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.55
Rot. Bonds4

About 2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pent-2-enamide

2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pent-2-enamide (PubChem CID 76861363) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pent-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pent-2-enamide
PubChem CID76861363
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pent-2-enamide
SMILESCCC=C(C)C(=O)NCc1nc2ccccc2n1C
InChIInChI=1S/C15H19N3O/c1-4-7-11(2)15(19)16-10-14-17-12-8-5-6-9-13(12)18(14)3/h5-9H,4,10H2,1-3H3,(H,16,19)
InChIKeyRMHNXCDELWZYLW-UHFFFAOYSA-N
XLogP2.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(1-methylbenzimidazol-2-yl)methylamino]-N-propylpropanamide
CID 60677060
N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenoxybutanamide
CID 51073455
methyl (2S)-2-[(1-methylbenzimidazol-2-yl)methylamino]propanoate
CID 55242093
2-hydroxy-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide
CID 47012390
2-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
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1-(2,2-dimethylpropyl)-3-[(1-methylbenzimidazol-2-yl)methyl]urea
CID 110747240
2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007726
2-methyl-N-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethyl]propanamide
CID 62997725
7-amino-N-[(1-methylbenzimidazol-2-yl)methyl]heptanamide;dihydrochloride
CID 119834811
methyl 5-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]thiophene-2-carboxylate
CID 134050321
3-(2-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide
CID 60528463
5-bromo-N-[(1-methylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide
CID 47161314

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pent-2-enamide?
The IUPAC name of 2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pent-2-enamide (CID 76861363) is 2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pent-2-enamide.
What is the SMILES notation for 2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pent-2-enamide?
The canonical SMILES for 2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pent-2-enamide is CCC=C(C)C(=O)NCc1nc2ccccc2n1C.
What is the InChIKey of 2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pent-2-enamide?
The InChIKey is RMHNXCDELWZYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-4-7-11(2)15(19)16-10-14-17-12-8-5-6-9-13(12)18(14)3/h5-9H,4,10H2,1-3H3,(H,16,19).
What are the key properties of 2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pent-2-enamide?
2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pent-2-enamide has a molecular weight of 257.34 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pent-2-enamide is sourced from PubChem (CID 76861363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).