N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]prop-2-enamide

C16H19N3O — CID 16986702

IUPACN-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]prop-2-enamide
SMILESC=CCn1c(CCCNC(=O)C=C)nc2ccccc21
InChIInChI=1S/C16H19N3O/c1-3-12-19-14-9-6-5-8-13(14)18-15(19)10-7-11-17-16(20)4-2/h3-6,8-9H,1-2,7,10-12H2,(H,17,20)
InChIKeyWSDJYVXZNQIOMD-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.46
Rot. Bonds7

About N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]prop-2-enamide

N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]prop-2-enamide (PubChem CID 16986702) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]prop-2-enamide
PubChem CID16986702
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]prop-2-enamide
SMILESC=CCn1c(CCCNC(=O)C=C)nc2ccccc21
InChIInChI=1S/C16H19N3O/c1-3-12-19-14-9-6-5-8-13(14)18-15(19)10-7-11-17-16(20)4-2/h3-6,8-9H,1-2,7,10-12H2,(H,17,20)
InChIKeyWSDJYVXZNQIOMD-UHFFFAOYSA-N
XLogP2.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1-ethylbenzimidazol-2-yl)propyl]prop-2-enamide
CID 16986696
N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide
CID 16981612
N-[3-(1-decylbenzimidazol-2-yl)propyl]prop-2-enamide
CID 16986712
N-[3-(1-heptylbenzimidazol-2-yl)propyl]prop-2-enamide
CID 16986709
N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]prop-2-enamide
CID 16986719
N-[5-(1-heptylbenzimidazol-2-yl)pentyl]prop-2-enamide
CID 16992196
N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]prop-2-enamide
CID 16986828
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 16980199
N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]prop-2-enamide
CID 16992231
N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]prop-2-enamide
CID 16992206
N-[3-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]prop-2-enamide
CID 16986831
N-[2-(1-butylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 16980207

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]prop-2-enamide?
The IUPAC name of N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]prop-2-enamide (CID 16986702) is N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]prop-2-enamide.
What is the SMILES notation for N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]prop-2-enamide?
The canonical SMILES for N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]prop-2-enamide is C=CCn1c(CCCNC(=O)C=C)nc2ccccc21.
What is the InChIKey of N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]prop-2-enamide?
The InChIKey is WSDJYVXZNQIOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-12-19-14-9-6-5-8-13(14)18-15(19)10-7-11-17-16(20)4-2/h3-6,8-9H,1-2,7,10-12H2,(H,17,20).
What are the key properties of N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]prop-2-enamide?
N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]prop-2-enamide has a molecular weight of 269.35 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]prop-2-enamide is sourced from PubChem (CID 16986702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).