N-[1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]prop-2-enamide

C22H25N3O3 — CID 16970027

IUPACN-[1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]prop-2-enamide
SMILESC=CC(=O)NC(C)c1nc2ccccc2n1CCCOc1cccc(OC)c1
InChIInChI=1S/C22H25N3O3/c1-4-21(26)23-16(2)22-24-19-11-5-6-12-20(19)25(22)13-8-14-28-18-10-7-9-17(15-18)27-3/h4-7,9-12,15-16H,1,8,13-14H2,2-3H3,(H,23,26)
InChIKeyCBTHJCZTGZPNKC-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.88
Rot. Bonds9

About N-[1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]prop-2-enamide

N-[1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]prop-2-enamide (PubChem CID 16970027) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]prop-2-enamide
PubChem CID16970027
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]prop-2-enamide
SMILESC=CC(=O)NC(C)c1nc2ccccc2n1CCCOc1cccc(OC)c1
InChIInChI=1S/C22H25N3O3/c1-4-21(26)23-16(2)22-24-19-11-5-6-12-20(19)25(22)13-8-14-28-18-10-7-9-17(15-18)27-3/h4-7,9-12,15-16H,1,8,13-14H2,2-3H3,(H,23,26)
InChIKeyCBTHJCZTGZPNKC-UHFFFAOYSA-N
XLogP3.88
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16968167
N-[1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972591
4-methoxy-N-[1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009703
N-[1-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide
CID 16970219
N-[1-[1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16970030
N-[1-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16973541
N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16969373
N-[1-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16967575
N-[1-[1-[4-(4-butan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16970065
N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16968767
2-ethyl-N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16969072
N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16619714

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]prop-2-enamide?
The IUPAC name of N-[1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]prop-2-enamide (CID 16970027) is N-[1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]prop-2-enamide.
What is the SMILES notation for N-[1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]prop-2-enamide?
The canonical SMILES for N-[1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]prop-2-enamide is C=CC(=O)NC(C)c1nc2ccccc2n1CCCOc1cccc(OC)c1.
What is the InChIKey of N-[1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]prop-2-enamide?
The InChIKey is CBTHJCZTGZPNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-4-21(26)23-16(2)22-24-19-11-5-6-12-20(19)25(22)13-8-14-28-18-10-7-9-17(15-18)27-3/h4-7,9-12,15-16H,1,8,13-14H2,2-3H3,(H,23,26).
What are the key properties of N-[1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]prop-2-enamide?
N-[1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]prop-2-enamide has a molecular weight of 379.46 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]prop-2-enamide is sourced from PubChem (CID 16970027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).