N-[(1-dodecylbenzimidazol-2-yl)methyl]-2-methylprop-2-enamide

C24H37N3O — CID 16972370

IUPACN-[(1-dodecylbenzimidazol-2-yl)methyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCc1nc2ccccc2n1CCCCCCCCCCCC
InChIInChI=1S/C24H37N3O/c1-4-5-6-7-8-9-10-11-12-15-18-27-22-17-14-13-16-21(22)26-23(27)19-25-24(28)20(2)3/h13-14,16-17H,2,4-12,15,18-19H2,1,3H3,(H,25,28)
InChIKeyCTBWPFJIYJZNRJ-UHFFFAOYSA-N
MW383.58 g/mol
LogP6.15
Rot. Bonds14

About N-[(1-dodecylbenzimidazol-2-yl)methyl]-2-methylprop-2-enamide

N-[(1-dodecylbenzimidazol-2-yl)methyl]-2-methylprop-2-enamide (PubChem CID 16972370) has the molecular formula C24H37N3O and a molecular weight of 383.58 g/mol. Its IUPAC name is N-[(1-dodecylbenzimidazol-2-yl)methyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[(1-dodecylbenzimidazol-2-yl)methyl]-2-methylprop-2-enamide
PubChem CID16972370
Molecular FormulaC24H37N3O
Molecular Weight383.58 g/mol
Exact Mass383.29
IUPAC NameN-[(1-dodecylbenzimidazol-2-yl)methyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCc1nc2ccccc2n1CCCCCCCCCCCC
InChIInChI=1S/C24H37N3O/c1-4-5-6-7-8-9-10-11-12-15-18-27-22-17-14-13-16-21(22)26-23(27)19-25-24(28)20(2)3/h13-14,16-17H,2,4-12,15,18-19H2,1,3H3,(H,25,28)
InChIKeyCTBWPFJIYJZNRJ-UHFFFAOYSA-N
XLogP6.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.58
LogP ≤ 56.15
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-[(1-heptylbenzimidazol-2-yl)methyl]-2-methylprop-2-enamide
CID 16972365
N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-methylprop-2-enamide
CID 16986870
N-[(1-nonylbenzimidazol-2-yl)methyl]acetamide
CID 17005899
N-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-methylprop-2-enamide
CID 16992361
2-methyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]prop-2-enamide
CID 16992362
N-[(1-hexadecylbenzimidazol-2-yl)methyl]butanamide
CID 16968866
N-[(1-dodecylbenzimidazol-2-yl)methyl]prop-2-enamide
CID 16972208
2-ethyl-N-[(1-octadecylbenzimidazol-2-yl)methyl]butanamide
CID 17006363
N-[(1-dodecylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 16969793
N-[[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylprop-2-enamide
CID 16972479
N-[(1-hexadecylbenzimidazol-2-yl)methyl]-2-phenoxyacetamide
CID 16970928
N-[3-(1-heptylbenzimidazol-2-yl)propyl]acetamide
CID 16980528

Frequently Asked Questions

What is the IUPAC name of N-[(1-dodecylbenzimidazol-2-yl)methyl]-2-methylprop-2-enamide?
The IUPAC name of N-[(1-dodecylbenzimidazol-2-yl)methyl]-2-methylprop-2-enamide (CID 16972370) is N-[(1-dodecylbenzimidazol-2-yl)methyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[(1-dodecylbenzimidazol-2-yl)methyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[(1-dodecylbenzimidazol-2-yl)methyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCc1nc2ccccc2n1CCCCCCCCCCCC.
What is the InChIKey of N-[(1-dodecylbenzimidazol-2-yl)methyl]-2-methylprop-2-enamide?
The InChIKey is CTBWPFJIYJZNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O/c1-4-5-6-7-8-9-10-11-12-15-18-27-22-17-14-13-16-21(22)26-23(27)19-25-24(28)20(2)3/h13-14,16-17H,2,4-12,15,18-19H2,1,3H3,(H,25,28).
What are the key properties of N-[(1-dodecylbenzimidazol-2-yl)methyl]-2-methylprop-2-enamide?
N-[(1-dodecylbenzimidazol-2-yl)methyl]-2-methylprop-2-enamide has a molecular weight of 383.58 g/mol, XLogP of 6.15, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-dodecylbenzimidazol-2-yl)methyl]-2-methylprop-2-enamide is sourced from PubChem (CID 16972370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).