N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]propanamide

C22H25N3O — CID 16980700

IUPACN-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]propanamide
SMILESCCC(=O)NCCCc1nc2ccccc2n1C/C=C/c1ccccc1
InChIInChI=1S/C22H25N3O/c1-2-22(26)23-16-8-15-21-24-19-13-6-7-14-20(19)25(21)17-9-12-18-10-4-3-5-11-18/h3-7,9-14H,2,8,15-17H2,1H3,(H,23,26)/b12-9+
InChIKeyFYMDFUIEINSKPZ-FMIVXFBMSA-N
MW347.46 g/mol
LogP4.21
Rot. Bonds8

About N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]propanamide

N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]propanamide (PubChem CID 16980700) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]propanamide.

Molecular Properties

Compound NameN-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]propanamide
PubChem CID16980700
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC NameN-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]propanamide
SMILESCCC(=O)NCCCc1nc2ccccc2n1C/C=C/c1ccccc1
InChIInChI=1S/C22H25N3O/c1-2-22(26)23-16-8-15-21-24-19-13-6-7-14-20(19)25(21)17-9-12-18-10-4-3-5-11-18/h3-7,9-14H,2,8,15-17H2,1H3,(H,23,26)/b12-9+
InChIKeyFYMDFUIEINSKPZ-FMIVXFBMSA-N
XLogP4.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[5-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988182
3-phenyl-N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]propanamide
CID 16986040
2-phenoxy-N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]acetamide
CID 16986259
2-methyl-N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]benzamide
CID 16982389
(E)-3-phenyl-N-[5-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pentyl]prop-2-enamide
CID 16992718
2-ethyl-N-[2-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974740
3-methoxy-N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]benzamide
CID 16983669
N-[3-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]propyl]propanamide
CID 16980695
N-[5-(1-pentylbenzimidazol-2-yl)pentyl]propanamide
CID 16987982
(Z)-3-phenyl-N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]prop-2-enamide
CID 16970796
ethyl 2-[2-[3-[[(Z)-3-phenylprop-2-enoyl]amino]propyl]benzimidazol-1-yl]acetate
CID 16986212
N-[3-(1-ethylbenzimidazol-2-yl)propyl]prop-2-enamide
CID 16986696

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]propanamide?
The IUPAC name of N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]propanamide (CID 16980700) is N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]propanamide.
What is the SMILES notation for N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]propanamide?
The canonical SMILES for N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]propanamide is CCC(=O)NCCCc1nc2ccccc2n1C/C=C/c1ccccc1.
What is the InChIKey of N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]propanamide?
The InChIKey is FYMDFUIEINSKPZ-FMIVXFBMSA-N. The full InChI is InChI=1S/C22H25N3O/c1-2-22(26)23-16-8-15-21-24-19-13-6-7-14-20(19)25(21)17-9-12-18-10-4-3-5-11-18/h3-7,9-14H,2,8,15-17H2,1H3,(H,23,26)/b12-9+.
What are the key properties of N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]propanamide?
N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]propanamide has a molecular weight of 347.46 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]propanamide is sourced from PubChem (CID 16980700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).