4-benzoyl-N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methylbenzamide

C24H20ClN3O2 — CID 59655320

IUPAC4-benzoyl-N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methylbenzamide
SMILESCc1cc(C(=O)N[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)ccc1C(=O)c1ccccc1
InChIInChI=1S/C24H20ClN3O2/c1-14-12-17(8-10-19(14)22(29)16-6-4-3-5-7-16)24(30)26-15(2)23-27-20-11-9-18(25)13-21(20)28-23/h3-13,15H,1-2H3,(H,26,30)(H,27,28)/t15-/m0/s1
InChIKeyNHYZTLIADBUJHN-HNNXBMFYSA-N
MW417.90 g/mol
LogP5.25
Rot. Bonds5

About 4-benzoyl-N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methylbenzamide

4-benzoyl-N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methylbenzamide (PubChem CID 59655320) has the molecular formula C24H20ClN3O2 and a molecular weight of 417.90 g/mol. Its IUPAC name is 4-benzoyl-N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-benzoyl-N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methylbenzamide
PubChem CID59655320
Molecular FormulaC24H20ClN3O2
Molecular Weight417.90 g/mol
Exact Mass417.12
IUPAC Name4-benzoyl-N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methylbenzamide
SMILESCc1cc(C(=O)N[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)ccc1C(=O)c1ccccc1
InChIInChI=1S/C24H20ClN3O2/c1-14-12-17(8-10-19(14)22(29)16-6-4-3-5-7-16)24(30)26-15(2)23-27-20-11-9-18(25)13-21(20)28-23/h3-13,15H,1-2H3,(H,26,30)(H,27,28)/t15-/m0/s1
InChIKeyNHYZTLIADBUJHN-HNNXBMFYSA-N
XLogP5.25
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.90
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]carbamoyl]benzoic acid
CID 69309783
2-chloro-4-N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-1-N-ethylbenzene-1,4-dicarboxamide
CID 71096341
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 920428
2,4-dichloro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]benzamide
CID 1474183
3-chloro-N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-(3,6-dimethylheptanoyl)benzamide
CID 67555896
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide
CID 25345385
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide
CID 17458136
N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methylpropyl]-4-(2,5-dihydropyrrole-1-carbonyl)-3-methylbenzamide
CID 59655054
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-chloro-2-fluorobenzamide
CID 17459446
N-[2-benzamido-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 59655325
3-methyl-N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]-4-(pyrrolidine-1-carbonyl)benzamide
CID 59655268
3-amino-N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]benzamide
CID 142911617

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methylbenzamide?
The IUPAC name of 4-benzoyl-N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methylbenzamide (CID 59655320) is 4-benzoyl-N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methylbenzamide.
What is the SMILES notation for 4-benzoyl-N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methylbenzamide?
The canonical SMILES for 4-benzoyl-N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methylbenzamide is Cc1cc(C(=O)N[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)ccc1C(=O)c1ccccc1.
What is the InChIKey of 4-benzoyl-N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methylbenzamide?
The InChIKey is NHYZTLIADBUJHN-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H20ClN3O2/c1-14-12-17(8-10-19(14)22(29)16-6-4-3-5-7-16)24(30)26-15(2)23-27-20-11-9-18(25)13-21(20)28-23/h3-13,15H,1-2H3,(H,26,30)(H,27,28)/t15-/m0/s1.
What are the key properties of 4-benzoyl-N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methylbenzamide?
4-benzoyl-N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methylbenzamide has a molecular weight of 417.90 g/mol, XLogP of 5.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methylbenzamide is sourced from PubChem (CID 59655320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).