N-[(1R)-2-phenyl-1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide

C23H21N3OS — CID 7025768

IUPACN-[(1R)-2-phenyl-1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
SMILESC=CCn1c([C@@H](Cc2ccccc2)NC(=O)c2cccs2)nc2ccccc21
InChIInChI=1S/C23H21N3OS/c1-2-14-26-20-12-7-6-11-18(20)24-22(26)19(16-17-9-4-3-5-10-17)25-23(27)21-13-8-15-28-21/h2-13,15,19H,1,14,16H2,(H,25,27)/t19-/m1/s1
InChIKeyXCAFPRHNQCKSHU-LJQANCHMSA-N
MW387.51 g/mol
LogP5.00
Rot. Bonds7

About N-[(1R)-2-phenyl-1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide

N-[(1R)-2-phenyl-1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide (PubChem CID 7025768) has the molecular formula C23H21N3OS and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[(1R)-2-phenyl-1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-phenyl-1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
PubChem CID7025768
Molecular FormulaC23H21N3OS
Molecular Weight387.51 g/mol
Exact Mass387.14
IUPAC NameN-[(1R)-2-phenyl-1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
SMILESC=CCn1c([C@@H](Cc2ccccc2)NC(=O)c2cccs2)nc2ccccc21
InChIInChI=1S/C23H21N3OS/c1-2-14-26-20-12-7-6-11-18(20)24-22(26)19(16-17-9-4-3-5-10-17)25-23(27)21-13-8-15-28-21/h2-13,15,19H,1,14,16H2,(H,25,27)/t19-/m1/s1
InChIKeyXCAFPRHNQCKSHU-LJQANCHMSA-N
XLogP5.00
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[1-(2-hydroxyethyl)benzimidazol-2-yl]-2-phenylethyl]benzamide
CID 4738031
N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
CID 7025686
N-[1-[2-(2-methylbenzimidazol-1-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 74618313
N-[1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-2-phenylethyl]benzamide
CID 3739139
N-[1-(1-butylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
CID 3243597
N-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16973675
N-[(1S)-1-(1-ethylbenzimidazol-2-yl)-2-phenylethyl]-2,2-dimethylpropanamide
CID 751348
N-[(1R)-1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 7007847
N-[1-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16973627
N-[(1S)-1-(1-methylbenzimidazol-2-yl)-2-phenylethyl]pyridine-4-carboxamide
CID 110204364
4-bromo-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide
CID 17009306
4-fluoro-N-[(1S)-1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide
CID 751224

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-phenyl-1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[(1R)-2-phenyl-1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide (CID 7025768) is N-[(1R)-2-phenyl-1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1R)-2-phenyl-1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1R)-2-phenyl-1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide is C=CCn1c([C@@H](Cc2ccccc2)NC(=O)c2cccs2)nc2ccccc21.
What is the InChIKey of N-[(1R)-2-phenyl-1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is XCAFPRHNQCKSHU-LJQANCHMSA-N. The full InChI is InChI=1S/C23H21N3OS/c1-2-14-26-20-12-7-6-11-18(20)24-22(26)19(16-17-9-4-3-5-10-17)25-23(27)21-13-8-15-28-21/h2-13,15,19H,1,14,16H2,(H,25,27)/t19-/m1/s1.
What are the key properties of N-[(1R)-2-phenyl-1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide?
N-[(1R)-2-phenyl-1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-phenyl-1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 7025768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).