N-[(1S)-1-(1-benzylbenzimidazol-2-yl)ethyl]-4-chlorobenzamide

C23H20ClN3O — CID 7007721

IUPACN-[(1S)-1-(1-benzylbenzimidazol-2-yl)ethyl]-4-chlorobenzamide
SMILESC[C@H](NC(=O)c1ccc(Cl)cc1)c1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C23H20ClN3O/c1-16(25-23(28)18-11-13-19(24)14-12-18)22-26-20-9-5-6-10-21(20)27(22)15-17-7-3-2-4-8-17/h2-14,16H,15H2,1H3,(H,25,28)/t16-/m0/s1
InChIKeyBLDTZZMLBFKAKU-INIZCTEOSA-N
MW389.89 g/mol
LogP5.23
Rot. Bonds5

About N-[(1S)-1-(1-benzylbenzimidazol-2-yl)ethyl]-4-chlorobenzamide

N-[(1S)-1-(1-benzylbenzimidazol-2-yl)ethyl]-4-chlorobenzamide (PubChem CID 7007721) has the molecular formula C23H20ClN3O and a molecular weight of 389.89 g/mol. Its IUPAC name is N-[(1S)-1-(1-benzylbenzimidazol-2-yl)ethyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-benzylbenzimidazol-2-yl)ethyl]-4-chlorobenzamide
PubChem CID7007721
Molecular FormulaC23H20ClN3O
Molecular Weight389.89 g/mol
Exact Mass389.13
IUPAC NameN-[(1S)-1-(1-benzylbenzimidazol-2-yl)ethyl]-4-chlorobenzamide
SMILESC[C@H](NC(=O)c1ccc(Cl)cc1)c1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C23H20ClN3O/c1-16(25-23(28)18-11-13-19(24)14-12-18)22-26-20-9-5-6-10-21(20)27(22)15-17-7-3-2-4-8-17/h2-14,16H,15H2,1H3,(H,25,28)/t16-/m0/s1
InChIKeyBLDTZZMLBFKAKU-INIZCTEOSA-N
XLogP5.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.89
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009491
N-[1-(1-benzylbenzimidazol-2-yl)ethyl]-4-bromobenzamide
CID 17009321
4-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]benzamide
CID 751147
4-chloro-N-[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009483
N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-4-chlorobenzamide
CID 17009493
N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967343
4-chloro-N-[1-(1-propylbenzimidazol-2-yl)ethyl]benzamide
CID 17009463
N-[(1S)-1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 40910160
N-[1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 4754925
N-[1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-2-phenylethyl]benzamide
CID 3739139
N-[1-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967368
N-[(1R)-1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
CID 7214248

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-benzylbenzimidazol-2-yl)ethyl]-4-chlorobenzamide?
The IUPAC name of N-[(1S)-1-(1-benzylbenzimidazol-2-yl)ethyl]-4-chlorobenzamide (CID 7007721) is N-[(1S)-1-(1-benzylbenzimidazol-2-yl)ethyl]-4-chlorobenzamide.
What is the SMILES notation for N-[(1S)-1-(1-benzylbenzimidazol-2-yl)ethyl]-4-chlorobenzamide?
The canonical SMILES for N-[(1S)-1-(1-benzylbenzimidazol-2-yl)ethyl]-4-chlorobenzamide is C[C@H](NC(=O)c1ccc(Cl)cc1)c1nc2ccccc2n1Cc1ccccc1.
What is the InChIKey of N-[(1S)-1-(1-benzylbenzimidazol-2-yl)ethyl]-4-chlorobenzamide?
The InChIKey is BLDTZZMLBFKAKU-INIZCTEOSA-N. The full InChI is InChI=1S/C23H20ClN3O/c1-16(25-23(28)18-11-13-19(24)14-12-18)22-26-20-9-5-6-10-21(20)27(22)15-17-7-3-2-4-8-17/h2-14,16H,15H2,1H3,(H,25,28)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-(1-benzylbenzimidazol-2-yl)ethyl]-4-chlorobenzamide?
N-[(1S)-1-(1-benzylbenzimidazol-2-yl)ethyl]-4-chlorobenzamide has a molecular weight of 389.89 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-benzylbenzimidazol-2-yl)ethyl]-4-chlorobenzamide is sourced from PubChem (CID 7007721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).