2-methyl-N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]prop-2-enamide

C26H27N3O2 — CID 16980463

IUPAC2-methyl-N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCc1nc2ccccc2n1CCCOc1cccc2ccccc12
InChIInChI=1S/C26H27N3O2/c1-19(2)26(30)27-16-15-25-28-22-12-5-6-13-23(22)29(25)17-8-18-31-24-14-7-10-20-9-3-4-11-21(20)24/h3-7,9-14H,1,8,15-18H2,2H3,(H,27,30)
InChIKeyXBBDZYOXMUFYPM-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.89
Rot. Bonds9

About 2-methyl-N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]prop-2-enamide

2-methyl-N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]prop-2-enamide (PubChem CID 16980463) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 2-methyl-N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]prop-2-enamide
PubChem CID16980463
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name2-methyl-N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCc1nc2ccccc2n1CCCOc1cccc2ccccc12
InChIInChI=1S/C26H27N3O2/c1-19(2)26(30)27-16-15-25-28-22-12-5-6-13-23(22)29(25)17-8-18-31-24-14-7-10-20-9-3-4-11-21(20)24/h3-7,9-14H,1,8,15-18H2,2H3,(H,27,30)
InChIKeyXBBDZYOXMUFYPM-UHFFFAOYSA-N
XLogP4.89
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]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-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980301
2-methyl-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980437
2-methyl-N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16975966
2-methyl-N-[2-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980464
N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16975236
2-methyl-N-[3-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]prop-2-enamide
CID 16986941
2,2-dimethyl-N-[2-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]propanamide
CID 6490606
N-[2-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide
CID 16980416
3,4-dimethoxy-N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976917
2-methyl-N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980411
2-ethyl-N-[2-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]butanamide
CID 16974766
2-methyl-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980409

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]prop-2-enamide (CID 16980463) is 2-methyl-N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]prop-2-enamide is C=C(C)C(=O)NCCc1nc2ccccc2n1CCCOc1cccc2ccccc12.
What is the InChIKey of 2-methyl-N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]prop-2-enamide?
The InChIKey is XBBDZYOXMUFYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-19(2)26(30)27-16-15-25-28-22-12-5-6-13-23(22)29(25)17-8-18-31-24-14-7-10-20-9-3-4-11-21(20)24/h3-7,9-14H,1,8,15-18H2,2H3,(H,27,30).
What are the key properties of 2-methyl-N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]prop-2-enamide?
2-methyl-N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]prop-2-enamide has a molecular weight of 413.52 g/mol, XLogP of 4.89, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]prop-2-enamide is sourced from PubChem (CID 16980463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).