N-[2-(1-butylbenzimidazol-2-yl)ethyl]prop-2-enamide

C16H21N3O — CID 16980207

IUPACN-[2-(1-butylbenzimidazol-2-yl)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCc1nc2ccccc2n1CCCC
InChIInChI=1S/C16H21N3O/c1-3-5-12-19-14-9-7-6-8-13(14)18-15(19)10-11-17-16(20)4-2/h4,6-9H,2-3,5,10-12H2,1H3,(H,17,20)
InChIKeyDHIFMWMLQCCUQL-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.68
Rot. Bonds7

About N-[2-(1-butylbenzimidazol-2-yl)ethyl]prop-2-enamide

N-[2-(1-butylbenzimidazol-2-yl)ethyl]prop-2-enamide (PubChem CID 16980207) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[2-(1-butylbenzimidazol-2-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(1-butylbenzimidazol-2-yl)ethyl]prop-2-enamide
PubChem CID16980207
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[2-(1-butylbenzimidazol-2-yl)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCc1nc2ccccc2n1CCCC
InChIInChI=1S/C16H21N3O/c1-3-5-12-19-14-9-7-6-8-13(14)18-15(19)10-11-17-16(20)4-2/h4,6-9H,2-3,5,10-12H2,1H3,(H,17,20)
InChIKeyDHIFMWMLQCCUQL-UHFFFAOYSA-N
XLogP2.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1-undecylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 16980216
N-[2-(1-dodecylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 16980217
N-[3-(1-heptylbenzimidazol-2-yl)propyl]prop-2-enamide
CID 16986709
N-[3-(1-decylbenzimidazol-2-yl)propyl]prop-2-enamide
CID 16986712
N-[5-(1-heptylbenzimidazol-2-yl)pentyl]prop-2-enamide
CID 16992196
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 16980199
N-[(1-dodecylbenzimidazol-2-yl)methyl]prop-2-enamide
CID 16972208
(E)-N-[2-(1-butylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide
CID 18888803
N-[3-(1-ethylbenzimidazol-2-yl)propyl]prop-2-enamide
CID 16986696
(E)-3-phenyl-N-[2-(1-undecylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 18889083
N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980301
N-[2-[1-[3-(4-butan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980297

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-butylbenzimidazol-2-yl)ethyl]prop-2-enamide?
The IUPAC name of N-[2-(1-butylbenzimidazol-2-yl)ethyl]prop-2-enamide (CID 16980207) is N-[2-(1-butylbenzimidazol-2-yl)ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-(1-butylbenzimidazol-2-yl)ethyl]prop-2-enamide?
The canonical SMILES for N-[2-(1-butylbenzimidazol-2-yl)ethyl]prop-2-enamide is C=CC(=O)NCCc1nc2ccccc2n1CCCC.
What is the InChIKey of N-[2-(1-butylbenzimidazol-2-yl)ethyl]prop-2-enamide?
The InChIKey is DHIFMWMLQCCUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-5-12-19-14-9-7-6-8-13(14)18-15(19)10-11-17-16(20)4-2/h4,6-9H,2-3,5,10-12H2,1H3,(H,17,20).
What are the key properties of N-[2-(1-butylbenzimidazol-2-yl)ethyl]prop-2-enamide?
N-[2-(1-butylbenzimidazol-2-yl)ethyl]prop-2-enamide has a molecular weight of 271.36 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-butylbenzimidazol-2-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 16980207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).