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

C20H29N3O — CID 16986709

IUPACN-[3-(1-heptylbenzimidazol-2-yl)propyl]prop-2-enamide
SMILESC=CC(=O)NCCCc1nc2ccccc2n1CCCCCCC
InChIInChI=1S/C20H29N3O/c1-3-5-6-7-10-16-23-18-13-9-8-12-17(18)22-19(23)14-11-15-21-20(24)4-2/h4,8-9,12-13H,2-3,5-7,10-11,14-16H2,1H3,(H,21,24)
InChIKeyVCZHGBYZTUGRCF-UHFFFAOYSA-N
MW327.47 g/mol
LogP4.24
Rot. Bonds11

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

N-[3-(1-heptylbenzimidazol-2-yl)propyl]prop-2-enamide (PubChem CID 16986709) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is N-[3-(1-heptylbenzimidazol-2-yl)propyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(1-heptylbenzimidazol-2-yl)propyl]prop-2-enamide
PubChem CID16986709
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC NameN-[3-(1-heptylbenzimidazol-2-yl)propyl]prop-2-enamide
SMILESC=CC(=O)NCCCc1nc2ccccc2n1CCCCCCC
InChIInChI=1S/C20H29N3O/c1-3-5-6-7-10-16-23-18-13-9-8-12-17(18)22-19(23)14-11-15-21-20(24)4-2/h4,8-9,12-13H,2-3,5-7,10-11,14-16H2,1H3,(H,21,24)
InChIKeyVCZHGBYZTUGRCF-UHFFFAOYSA-N
XLogP4.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.24
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-decylbenzimidazol-2-yl)propyl]prop-2-enamide
CID 16986712
N-[5-(1-heptylbenzimidazol-2-yl)pentyl]prop-2-enamide
CID 16992196
N-[2-(1-dodecylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 16980217
N-[2-(1-undecylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 16980216
N-[2-(1-butylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 16980207
N-[3-(1-ethylbenzimidazol-2-yl)propyl]prop-2-enamide
CID 16986696
N-[(1-dodecylbenzimidazol-2-yl)methyl]prop-2-enamide
CID 16972208
N-[3-(1-heptylbenzimidazol-2-yl)propyl]acetamide
CID 16980528
N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-methylprop-2-enamide
CID 16986870
N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]prop-2-enamide
CID 16992231
2-methyl-N-[3-(1-undecylbenzimidazol-2-yl)propyl]propanamide
CID 16980820
N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-methylpropanamide
CID 18811165

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-heptylbenzimidazol-2-yl)propyl]prop-2-enamide?
The IUPAC name of N-[3-(1-heptylbenzimidazol-2-yl)propyl]prop-2-enamide (CID 16986709) is N-[3-(1-heptylbenzimidazol-2-yl)propyl]prop-2-enamide.
What is the SMILES notation for N-[3-(1-heptylbenzimidazol-2-yl)propyl]prop-2-enamide?
The canonical SMILES for N-[3-(1-heptylbenzimidazol-2-yl)propyl]prop-2-enamide is C=CC(=O)NCCCc1nc2ccccc2n1CCCCCCC.
What is the InChIKey of N-[3-(1-heptylbenzimidazol-2-yl)propyl]prop-2-enamide?
The InChIKey is VCZHGBYZTUGRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-3-5-6-7-10-16-23-18-13-9-8-12-17(18)22-19(23)14-11-15-21-20(24)4-2/h4,8-9,12-13H,2-3,5-7,10-11,14-16H2,1H3,(H,21,24).
What are the key properties of N-[3-(1-heptylbenzimidazol-2-yl)propyl]prop-2-enamide?
N-[3-(1-heptylbenzimidazol-2-yl)propyl]prop-2-enamide has a molecular weight of 327.47 g/mol, XLogP of 4.24, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-heptylbenzimidazol-2-yl)propyl]prop-2-enamide is sourced from PubChem (CID 16986709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).