N-[1-[1-[3-(2,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide

C24H29N3O2 — CID 16970180

IUPACN-[1-[1-[3-(2,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(C)c1nc2ccccc2n1CCCOc1cc(C)ccc1C
InChIInChI=1S/C24H29N3O2/c1-16(2)24(28)25-19(5)23-26-20-9-6-7-10-21(20)27(23)13-8-14-29-22-15-17(3)11-12-18(22)4/h6-7,9-12,15,19H,1,8,13-14H2,2-5H3,(H,25,28)
InChIKeyAEDNKLPQQYPRGI-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.88
Rot. Bonds8

About N-[1-[1-[3-(2,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide

N-[1-[1-[3-(2,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide (PubChem CID 16970180) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[1-[1-[3-(2,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[1-[1-[3-(2,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide
PubChem CID16970180
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC NameN-[1-[1-[3-(2,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(C)c1nc2ccccc2n1CCCOc1cc(C)ccc1C
InChIInChI=1S/C24H29N3O2/c1-16(2)24(28)25-19(5)23-26-20-9-6-7-10-21(20)27(23)13-8-14-29-22-15-17(3)11-12-18(22)4/h6-7,9-12,15,19H,1,8,13-14H2,2-5H3,(H,25,28)
InChIKeyAEDNKLPQQYPRGI-UHFFFAOYSA-N
XLogP4.88
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.88
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'}

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Related Compounds

2-methyl-N-[1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16970194
N-[1-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide
CID 16970208
N-[1-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16969723
N-[(1S)-1-[1-[3-(2,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100830
2-(2,5-dimethylphenoxy)-N-[1-[1-[4-(2,3-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16972135
N-[1-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 17009723
N-[1-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide
CID 16970219
2-(2,5-dimethylphenoxy)-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]acetamide
CID 16972157
N-[1-[1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide
CID 16970186
N-[1-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(2,5-dimethylphenoxy)acetamide
CID 16972127
2-methyl-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16970174
N-[1-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide
CID 16966712

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[3-(2,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide?
The IUPAC name of N-[1-[1-[3-(2,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide (CID 16970180) is N-[1-[1-[3-(2,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[1-[1-[3-(2,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[1-[1-[3-(2,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide is C=C(C)C(=O)NC(C)c1nc2ccccc2n1CCCOc1cc(C)ccc1C.
What is the InChIKey of N-[1-[1-[3-(2,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide?
The InChIKey is AEDNKLPQQYPRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-16(2)24(28)25-19(5)23-26-20-9-6-7-10-21(20)27(23)13-8-14-29-22-15-17(3)11-12-18(22)4/h6-7,9-12,15,19H,1,8,13-14H2,2-5H3,(H,25,28).
What are the key properties of N-[1-[1-[3-(2,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide?
N-[1-[1-[3-(2,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide has a molecular weight of 391.52 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[3-(2,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide is sourced from PubChem (CID 16970180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).