2-methyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]prop-2-enamide

C27H43N3O — CID 16992362

IUPAC2-methyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCCCCc1nc2ccccc2n1CCCCCCCCCCC
InChIInChI=1S/C27H43N3O/c1-4-5-6-7-8-9-10-11-17-22-30-25-19-15-14-18-24(25)29-26(30)20-13-12-16-21-28-27(31)23(2)3/h14-15,18-19H,2,4-13,16-17,20-22H2,1,3H3,(H,28,31)
InChIKeyCRXHFTTZFHDZFN-UHFFFAOYSA-N
MW425.66 g/mol
LogP6.97
Rot. Bonds17

About 2-methyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]prop-2-enamide

2-methyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]prop-2-enamide (PubChem CID 16992362) has the molecular formula C27H43N3O and a molecular weight of 425.66 g/mol. Its IUPAC name is 2-methyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]prop-2-enamide
PubChem CID16992362
Molecular FormulaC27H43N3O
Molecular Weight425.66 g/mol
Exact Mass425.34
IUPAC Name2-methyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCCCCc1nc2ccccc2n1CCCCCCCCCCC
InChIInChI=1S/C27H43N3O/c1-4-5-6-7-8-9-10-11-17-22-30-25-19-15-14-18-24(25)29-26(30)20-13-12-16-21-28-27(31)23(2)3/h14-15,18-19H,2,4-13,16-17,20-22H2,1,3H3,(H,28,31)
InChIKeyCRXHFTTZFHDZFN-UHFFFAOYSA-N
XLogP6.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.66
LogP ≤ 56.97
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'}

Analyze 2-methyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-methylprop-2-enamide
CID 16992361
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 2-methyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]prop-2-enamide (CID 16992362) is 2-methyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]prop-2-enamide is C=C(C)C(=O)NCCCCCc1nc2ccccc2n1CCCCCCCCCCC.
What is the InChIKey of 2-methyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]prop-2-enamide?
The InChIKey is CRXHFTTZFHDZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43N3O/c1-4-5-6-7-8-9-10-11-17-22-30-25-19-15-14-18-24(25)29-26(30)20-13-12-16-21-28-27(31)23(2)3/h14-15,18-19H,2,4-13,16-17,20-22H2,1,3H3,(H,28,31).
What are the key properties of 2-methyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]prop-2-enamide?
2-methyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]prop-2-enamide has a molecular weight of 425.66 g/mol, XLogP of 6.97, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]prop-2-enamide is sourced from PubChem (CID 16992362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).