2-methyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]propanamide

C15H19N3O — CID 17006187

IUPAC2-methyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]propanamide
SMILESC=CCn1c(CNC(=O)C(C)C)nc2ccccc21
InChIInChI=1S/C15H19N3O/c1-4-9-18-13-8-6-5-7-12(13)17-14(18)10-16-15(19)11(2)3/h4-8,11H,1,9-10H2,2-3H3,(H,16,19)
InChIKeyFPYTVCKMGWNTSH-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.49
Rot. Bonds5

About 2-methyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]propanamide

2-methyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]propanamide (PubChem CID 17006187) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-methyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]propanamide
PubChem CID17006187
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-methyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]propanamide
SMILESC=CCn1c(CNC(=O)C(C)C)nc2ccccc21
InChIInChI=1S/C15H19N3O/c1-4-9-18-13-8-6-5-7-12(13)17-14(18)10-16-15(19)11(2)3/h4-8,11H,1,9-10H2,2-3H3,(H,16,19)
InChIKeyFPYTVCKMGWNTSH-UHFFFAOYSA-N
XLogP2.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-(1-prop-2-enylbenzimidazol-2-yl)ethyl]propanamide
CID 955336
N-methyl-1-(1-prop-2-enylbenzimidazol-2-yl)methanamine;dihydrochloride
CID 122236315
4-fluoro-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide
CID 2975742
2-(2-methylphenyl)-N-[2-(1-prop-2-enylbenzimidazol-2-yl)ethyl]acetamide
CID 16979071
N-[[1-[2-(cyclopropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
CID 17029056
2-methyl-N-[[1-[2-oxo-2-(1-phenylethylamino)ethyl]benzimidazol-2-yl]methyl]propanamide
CID 17029092
2-methyl-N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]propanamide
CID 17006257
N-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
CID 17006243
N-[[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
CID 17029059
N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]prop-2-enamide
CID 16986702
(2R)-N-ethyl-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylpropanamide
CID 40654359
N-[[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]acetamide
CID 17005933

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]propanamide?
The IUPAC name of 2-methyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]propanamide (CID 17006187) is 2-methyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]propanamide?
The canonical SMILES for 2-methyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]propanamide is C=CCn1c(CNC(=O)C(C)C)nc2ccccc21.
What is the InChIKey of 2-methyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]propanamide?
The InChIKey is FPYTVCKMGWNTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-4-9-18-13-8-6-5-7-12(13)17-14(18)10-16-15(19)11(2)3/h4-8,11H,1,9-10H2,2-3H3,(H,16,19).
What are the key properties of 2-methyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]propanamide?
2-methyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]propanamide has a molecular weight of 257.34 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]propanamide is sourced from PubChem (CID 17006187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).