N-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-methylprop-2-enamide

C26H41N3O — CID 16992361

IUPACN-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCCCc1nc2ccccc2n1CCCCCCCCCC
InChIInChI=1S/C26H41N3O/c1-4-5-6-7-8-9-10-16-21-29-24-18-14-13-17-23(24)28-25(29)19-12-11-15-20-27-26(30)22(2)3/h13-14,17-18H,2,4-12,15-16,19-21H2,1,3H3,(H,27,30)
InChIKeyQYIRDBVQWILDBO-UHFFFAOYSA-N
MW411.63 g/mol
LogP6.58
Rot. Bonds16

About N-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-methylprop-2-enamide

N-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-methylprop-2-enamide (PubChem CID 16992361) has the molecular formula C26H41N3O and a molecular weight of 411.63 g/mol. Its IUPAC name is N-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-methylprop-2-enamide
PubChem CID16992361
Molecular FormulaC26H41N3O
Molecular Weight411.63 g/mol
Exact Mass411.32
IUPAC NameN-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCCCc1nc2ccccc2n1CCCCCCCCCC
InChIInChI=1S/C26H41N3O/c1-4-5-6-7-8-9-10-16-21-29-24-18-14-13-17-23(24)28-25(29)19-12-11-15-20-27-26(30)22(2)3/h13-14,17-18H,2,4-12,15-16,19-21H2,1,3H3,(H,27,30)
InChIKeyQYIRDBVQWILDBO-UHFFFAOYSA-N
XLogP6.58
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.63
LogP ≤ 56.58
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

2-methyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]prop-2-enamide
CID 16992362
N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-methylprop-2-enamide
CID 16986870
N-[(1-dodecylbenzimidazol-2-yl)methyl]-2-methylprop-2-enamide
CID 16972370
N-[(1-heptylbenzimidazol-2-yl)methyl]-2-methylprop-2-enamide
CID 16972365
N-[5-(1-pentylbenzimidazol-2-yl)pentyl]propanamide
CID 16987982
N-[3-(1-heptylbenzimidazol-2-yl)propyl]acetamide
CID 16980528
N-[5-(1-heptylbenzimidazol-2-yl)pentyl]prop-2-enamide
CID 16992196
N-[5-(1-hexadecylbenzimidazol-2-yl)pentyl]-2-methylpropanamide
CID 16988638
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylprop-2-enamide
CID 16986858
N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide
CID 16989287
N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-methylprop-2-enamide
CID 16992404
2-phenyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]acetamide
CID 16993334

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-methylprop-2-enamide?
The IUPAC name of N-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-methylprop-2-enamide (CID 16992361) is N-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCCCCc1nc2ccccc2n1CCCCCCCCCC.
What is the InChIKey of N-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-methylprop-2-enamide?
The InChIKey is QYIRDBVQWILDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N3O/c1-4-5-6-7-8-9-10-16-21-29-24-18-14-13-17-23(24)28-25(29)19-12-11-15-20-27-26(30)22(2)3/h13-14,17-18H,2,4-12,15-16,19-21H2,1,3H3,(H,27,30).
What are the key properties of N-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-methylprop-2-enamide?
N-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-methylprop-2-enamide has a molecular weight of 411.63 g/mol, XLogP of 6.58, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-methylprop-2-enamide is sourced from PubChem (CID 16992361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).