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

C16H21N3O — CID 955336

IUPAC2-methyl-N-[2-(1-prop-2-enylbenzimidazol-2-yl)ethyl]propanamide
SMILESC=CCn1c(CCNC(=O)C(C)C)nc2ccccc21
InChIInChI=1S/C16H21N3O/c1-4-11-19-14-8-6-5-7-13(14)18-15(19)9-10-17-16(20)12(2)3/h4-8,12H,1,9-11H2,2-3H3,(H,17,20)
InChIKeyYAJIZVDGDSHJRS-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.54
Rot. Bonds6

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

2-methyl-N-[2-(1-prop-2-enylbenzimidazol-2-yl)ethyl]propanamide (PubChem CID 955336) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-methyl-N-[2-(1-prop-2-enylbenzimidazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(1-prop-2-enylbenzimidazol-2-yl)ethyl]propanamide
PubChem CID955336
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-methyl-N-[2-(1-prop-2-enylbenzimidazol-2-yl)ethyl]propanamide
SMILESC=CCn1c(CCNC(=O)C(C)C)nc2ccccc21
InChIInChI=1S/C16H21N3O/c1-4-11-19-14-8-6-5-7-13(14)18-15(19)9-10-17-16(20)12(2)3/h4-8,12H,1,9-11H2,2-3H3,(H,17,20)
InChIKeyYAJIZVDGDSHJRS-UHFFFAOYSA-N
XLogP2.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.54
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-[(1-prop-2-enylbenzimidazol-2-yl)methyl]propanamide
CID 17006187
2-(2-methylphenyl)-N-[2-(1-prop-2-enylbenzimidazol-2-yl)ethyl]acetamide
CID 16979071
methyl 2-[2-[2-(2-methylpropanoylamino)ethyl]benzimidazol-1-yl]acetate
CID 16974953
4-chloro-N-[2-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide
CID 751332
N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]prop-2-enamide
CID 16986702
N-[2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
CID 976977
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylpropanamide
CID 4754827
N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-methylpropanamide
CID 955337
(2R)-2-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]propanamide
CID 119866308
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 16980199
N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide
CID 16981612
N-[2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
CID 16974874

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(1-prop-2-enylbenzimidazol-2-yl)ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-(1-prop-2-enylbenzimidazol-2-yl)ethyl]propanamide (CID 955336) is 2-methyl-N-[2-(1-prop-2-enylbenzimidazol-2-yl)ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-(1-prop-2-enylbenzimidazol-2-yl)ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-(1-prop-2-enylbenzimidazol-2-yl)ethyl]propanamide is C=CCn1c(CCNC(=O)C(C)C)nc2ccccc21.
What is the InChIKey of 2-methyl-N-[2-(1-prop-2-enylbenzimidazol-2-yl)ethyl]propanamide?
The InChIKey is YAJIZVDGDSHJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-11-19-14-8-6-5-7-13(14)18-15(19)9-10-17-16(20)12(2)3/h4-8,12H,1,9-11H2,2-3H3,(H,17,20).
What are the key properties of 2-methyl-N-[2-(1-prop-2-enylbenzimidazol-2-yl)ethyl]propanamide?
2-methyl-N-[2-(1-prop-2-enylbenzimidazol-2-yl)ethyl]propanamide has a molecular weight of 271.36 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(1-prop-2-enylbenzimidazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 955336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).