N-[(1R)-1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide

C19H20ClN3O — CID 7214248

IUPACN-[(1R)-1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
SMILESCCC(=O)N[C@H](C)c1nc2ccccc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN3O/c1-3-18(24)21-13(2)19-22-16-6-4-5-7-17(16)23(19)12-14-8-10-15(20)11-9-14/h4-11,13H,3,12H2,1-2H3,(H,21,24)/t13-/m1/s1
InChIKeyLCWNXHLYUNJFIP-CYBMUJFWSA-N
MW341.84 g/mol
LogP4.33
Rot. Bonds5

About N-[(1R)-1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide

N-[(1R)-1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide (PubChem CID 7214248) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is N-[(1R)-1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-[(1R)-1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
PubChem CID7214248
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC NameN-[(1R)-1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
SMILESCCC(=O)N[C@H](C)c1nc2ccccc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN3O/c1-3-18(24)21-13(2)19-22-16-6-4-5-7-17(16)23(19)12-14-8-10-15(20)11-9-14/h4-11,13H,3,12H2,1-2H3,(H,21,24)/t13-/m1/s1
InChIKeyLCWNXHLYUNJFIP-CYBMUJFWSA-N
XLogP4.33
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
CID 16968587
2-(4-chlorophenyl)-N-[1-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]acetamide
CID 16972996
N-[(1S)-1-(1-benzylbenzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 7007721
N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propanamide
CID 751204
N-[(1R)-1-(1-propylbenzimidazol-2-yl)ethyl]propanamide
CID 751155
4-chloro-N-[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009491
N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-4-chlorobenzamide
CID 17009493
N-[(1R)-1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 7694098
N-[1-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972536
N-[1-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972535
N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]propanamide
CID 17029919
4-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]benzamide
CID 751147

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide?
The IUPAC name of N-[(1R)-1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide (CID 7214248) is N-[(1R)-1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide.
What is the SMILES notation for N-[(1R)-1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide?
The canonical SMILES for N-[(1R)-1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide is CCC(=O)N[C@H](C)c1nc2ccccc2n1Cc1ccc(Cl)cc1.
What is the InChIKey of N-[(1R)-1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide?
The InChIKey is LCWNXHLYUNJFIP-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20ClN3O/c1-3-18(24)21-13(2)19-22-16-6-4-5-7-17(16)23(19)12-14-8-10-15(20)11-9-14/h4-11,13H,3,12H2,1-2H3,(H,21,24)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide?
N-[(1R)-1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide has a molecular weight of 341.84 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide is sourced from PubChem (CID 7214248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).