N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylprop-2-enamide

C16H21N3O — CID 16986858

IUPACN-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCc1nc2ccccc2n1CC
InChIInChI=1S/C16H21N3O/c1-4-19-14-9-6-5-8-13(14)18-15(19)10-7-11-17-16(20)12(2)3/h5-6,8-9H,2,4,7,10-11H2,1,3H3,(H,17,20)
InChIKeyCVSJMSXFRKLDRQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.68
Rot. Bonds6

About N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylprop-2-enamide

N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylprop-2-enamide (PubChem CID 16986858) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylprop-2-enamide
PubChem CID16986858
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCc1nc2ccccc2n1CC
InChIInChI=1S/C16H21N3O/c1-4-19-14-9-6-5-8-13(14)18-15(19)10-7-11-17-16(20)12(2)3/h5-6,8-9H,2,4,7,10-11H2,1,3H3,(H,17,20)
InChIKeyCVSJMSXFRKLDRQ-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-methylprop-2-enamide
CID 16986870
2-methyl-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]prop-2-enamide
CID 16987013
ethyl 2-[2-[3-(2-methylprop-2-enoylamino)propyl]benzimidazol-1-yl]acetate
CID 16987010
2-methyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]prop-2-enamide
CID 16992362
N-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-methylprop-2-enamide
CID 16992361
N-[3-(1-ethylbenzimidazol-2-yl)propyl]prop-2-enamide
CID 16986696
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylpropanamide
CID 4754827
2-methyl-N-[3-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]prop-2-enamide
CID 16986941
N-[3-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]propyl]-2-methylprop-2-enamide
CID 16986959
2-methyl-N-[3-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]prop-2-enamide
CID 16986915
N-[2-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide
CID 16980366
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylbenzamide
CID 16982340

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylprop-2-enamide?
The IUPAC name of N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylprop-2-enamide (CID 16986858) is N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCCc1nc2ccccc2n1CC.
What is the InChIKey of N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylprop-2-enamide?
The InChIKey is CVSJMSXFRKLDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-19-14-9-6-5-8-13(14)18-15(19)10-7-11-17-16(20)12(2)3/h5-6,8-9H,2,4,7,10-11H2,1,3H3,(H,17,20).
What are the key properties of N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylprop-2-enamide?
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylprop-2-enamide has a molecular weight of 271.36 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylprop-2-enamide is sourced from PubChem (CID 16986858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).