N-[3-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide

C23H27N3O — CID 16985995

IUPACN-[3-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide
SMILESC=C(C)Cn1c(CCCNC(=O)CCc2ccccc2)nc2ccccc21
InChIInChI=1S/C23H27N3O/c1-18(2)17-26-21-12-7-6-11-20(21)25-22(26)13-8-16-24-23(27)15-14-19-9-4-3-5-10-19/h3-7,9-12H,1,8,13-17H2,2H3,(H,24,27)
InChIKeyIGHLOERYLSASBE-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.29
Rot. Bonds9

About N-[3-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide

N-[3-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide (PubChem CID 16985995) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[3-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[3-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide
PubChem CID16985995
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC NameN-[3-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide
SMILESC=C(C)Cn1c(CCCNC(=O)CCc2ccccc2)nc2ccccc21
InChIInChI=1S/C23H27N3O/c1-18(2)17-26-21-12-7-6-11-20(21)25-22(26)13-8-16-24-23(27)15-14-19-9-4-3-5-10-19/h3-7,9-12H,1,8,13-17H2,2H3,(H,24,27)
InChIKeyIGHLOERYLSASBE-UHFFFAOYSA-N
XLogP4.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide
CID 16985994
N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide
CID 16986136
N-[5-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide
CID 16992642
3-phenyl-N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]propanamide
CID 16986017
N-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-3-phenylpropanamide
CID 16992525
3-phenyl-N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide
CID 16978263
3-phenyl-N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]propanamide
CID 16986040
N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide
CID 16992530
2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-benzylacetamide
CID 17030984
N-[3-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]propyl]acetamide
CID 16980523
2-methyl-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]prop-2-enamide
CID 16987013
N-[3-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-phenylacetamide
CID 16984990

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide?
The IUPAC name of N-[3-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide (CID 16985995) is N-[3-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide.
What is the SMILES notation for N-[3-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide?
The canonical SMILES for N-[3-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide is C=C(C)Cn1c(CCCNC(=O)CCc2ccccc2)nc2ccccc21.
What is the InChIKey of N-[3-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide?
The InChIKey is IGHLOERYLSASBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-18(2)17-26-21-12-7-6-11-20(21)25-22(26)13-8-16-24-23(27)15-14-19-9-4-3-5-10-19/h3-7,9-12H,1,8,13-17H2,2H3,(H,24,27).
What are the key properties of N-[3-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide?
N-[3-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide has a molecular weight of 361.49 g/mol, XLogP of 4.29, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide is sourced from PubChem (CID 16985995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).