2-methyl-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]prop-2-enamide

C22H25N3O — CID 16986880

IUPAC2-methyl-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCCc1nc2ccccc2n1C(C)c1ccccc1
InChIInChI=1S/C22H25N3O/c1-16(2)22(26)23-15-9-14-21-24-19-12-7-8-13-20(19)25(21)17(3)18-10-5-4-6-11-18/h4-8,10-13,17H,1,9,14-15H2,2-3H3,(H,23,26)
InChIKeyHLDNFBRADIFUJD-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.27
Rot. Bonds7

About 2-methyl-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]prop-2-enamide

2-methyl-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]prop-2-enamide (PubChem CID 16986880) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-methyl-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]prop-2-enamide
PubChem CID16986880
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name2-methyl-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCCc1nc2ccccc2n1C(C)c1ccccc1
InChIInChI=1S/C22H25N3O/c1-16(2)22(26)23-15-9-14-21-24-19-12-7-8-13-20(19)25(21)17(3)18-10-5-4-6-11-18/h4-8,10-13,17H,1,9,14-15H2,2-3H3,(H,23,26)
InChIKeyHLDNFBRADIFUJD-UHFFFAOYSA-N
XLogP4.27
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.27
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

4-chloro-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]benzamide
CID 16984574
N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide
CID 16982056
N-[3-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 40639636
N-[5-[1-(1-phenylethyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide
CID 16989127
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylprop-2-enamide
CID 16986858
2-(4-chlorophenoxy)-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]acetamide
CID 16986394
2-methyl-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]prop-2-enamide
CID 16987013
N-[[1-(1-phenylethyl)benzimidazol-2-yl]methyl]prop-2-enamide
CID 16972212
N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-methylprop-2-enamide
CID 16986870
N-[2-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 16979897
N-[2-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16975581
2-(2-chloroethyl)-1-(1-phenylethyl)benzimidazole
CID 43666303

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]prop-2-enamide (CID 16986880) is 2-methyl-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]prop-2-enamide is C=C(C)C(=O)NCCCc1nc2ccccc2n1C(C)c1ccccc1.
What is the InChIKey of 2-methyl-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]prop-2-enamide?
The InChIKey is HLDNFBRADIFUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-16(2)22(26)23-15-9-14-21-24-19-12-7-8-13-20(19)25(21)17(3)18-10-5-4-6-11-18/h4-8,10-13,17H,1,9,14-15H2,2-3H3,(H,23,26).
What are the key properties of 2-methyl-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]prop-2-enamide?
2-methyl-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]prop-2-enamide has a molecular weight of 347.46 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]prop-2-enamide is sourced from PubChem (CID 16986880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).