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

C23H35N3O — CID 16972208

IUPACN-[(1-dodecylbenzimidazol-2-yl)methyl]prop-2-enamide
SMILESC=CC(=O)NCc1nc2ccccc2n1CCCCCCCCCCCC
InChIInChI=1S/C23H35N3O/c1-3-5-6-7-8-9-10-11-12-15-18-26-21-17-14-13-16-20(21)25-22(26)19-24-23(27)4-2/h4,13-14,16-17H,2-3,5-12,15,18-19H2,1H3,(H,24,27)
InChIKeyOUAAXXCROHBARP-UHFFFAOYSA-N
MW369.55 g/mol
LogP5.76
Rot. Bonds14

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

N-[(1-dodecylbenzimidazol-2-yl)methyl]prop-2-enamide (PubChem CID 16972208) has the molecular formula C23H35N3O and a molecular weight of 369.55 g/mol. Its IUPAC name is N-[(1-dodecylbenzimidazol-2-yl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(1-dodecylbenzimidazol-2-yl)methyl]prop-2-enamide
PubChem CID16972208
Molecular FormulaC23H35N3O
Molecular Weight369.55 g/mol
Exact Mass369.28
IUPAC NameN-[(1-dodecylbenzimidazol-2-yl)methyl]prop-2-enamide
SMILESC=CC(=O)NCc1nc2ccccc2n1CCCCCCCCCCCC
InChIInChI=1S/C23H35N3O/c1-3-5-6-7-8-9-10-11-12-15-18-26-21-17-14-13-16-20(21)25-22(26)19-24-23(27)4-2/h4,13-14,16-17H,2-3,5-12,15,18-19H2,1H3,(H,24,27)
InChIKeyOUAAXXCROHBARP-UHFFFAOYSA-N
XLogP5.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.55
LogP ≤ 55.76
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-[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-[(1-nonylbenzimidazol-2-yl)methyl]acetamide
CID 17005899
N-[2-(1-butylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 16980207
N-[(1-hexadecylbenzimidazol-2-yl)methyl]butanamide
CID 16968866
N-[(1-dodecylbenzimidazol-2-yl)methyl]-2-methylprop-2-enamide
CID 16972370
N-[(1-heptylbenzimidazol-2-yl)methyl]-2-methylprop-2-enamide
CID 16972365
2-ethyl-N-[(1-octadecylbenzimidazol-2-yl)methyl]butanamide
CID 17006363
N-[[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]prop-2-enamide
CID 16972275

Frequently Asked Questions

What is the IUPAC name of N-[(1-dodecylbenzimidazol-2-yl)methyl]prop-2-enamide?
The IUPAC name of N-[(1-dodecylbenzimidazol-2-yl)methyl]prop-2-enamide (CID 16972208) is N-[(1-dodecylbenzimidazol-2-yl)methyl]prop-2-enamide.
What is the SMILES notation for N-[(1-dodecylbenzimidazol-2-yl)methyl]prop-2-enamide?
The canonical SMILES for N-[(1-dodecylbenzimidazol-2-yl)methyl]prop-2-enamide is C=CC(=O)NCc1nc2ccccc2n1CCCCCCCCCCCC.
What is the InChIKey of N-[(1-dodecylbenzimidazol-2-yl)methyl]prop-2-enamide?
The InChIKey is OUAAXXCROHBARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O/c1-3-5-6-7-8-9-10-11-12-15-18-26-21-17-14-13-16-20(21)25-22(26)19-24-23(27)4-2/h4,13-14,16-17H,2-3,5-12,15,18-19H2,1H3,(H,24,27).
What are the key properties of N-[(1-dodecylbenzimidazol-2-yl)methyl]prop-2-enamide?
N-[(1-dodecylbenzimidazol-2-yl)methyl]prop-2-enamide has a molecular weight of 369.55 g/mol, XLogP of 5.76, 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]prop-2-enamide is sourced from PubChem (CID 16972208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).