N-[1-[4-(1H-benzimidazol-2-yl)anilino]-1-oxopropan-2-yl]-4-chlorobenzamide

C23H19ClN4O2 — CID 112767961

IUPACN-[1-[4-(1H-benzimidazol-2-yl)anilino]-1-oxopropan-2-yl]-4-chlorobenzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C23H19ClN4O2/c1-14(25-23(30)16-6-10-17(24)11-7-16)22(29)26-18-12-8-15(9-13-18)21-27-19-4-2-3-5-20(19)28-21/h2-14H,1H3,(H,25,30)(H,26,29)(H,27,28)
InChIKeyCMMJXPMEBOZLIM-UHFFFAOYSA-N
MW418.88 g/mol
LogP4.64
Rot. Bonds5

About N-[1-[4-(1H-benzimidazol-2-yl)anilino]-1-oxopropan-2-yl]-4-chlorobenzamide

N-[1-[4-(1H-benzimidazol-2-yl)anilino]-1-oxopropan-2-yl]-4-chlorobenzamide (PubChem CID 112767961) has the molecular formula C23H19ClN4O2 and a molecular weight of 418.88 g/mol. Its IUPAC name is N-[1-[4-(1H-benzimidazol-2-yl)anilino]-1-oxopropan-2-yl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[1-[4-(1H-benzimidazol-2-yl)anilino]-1-oxopropan-2-yl]-4-chlorobenzamide
PubChem CID112767961
Molecular FormulaC23H19ClN4O2
Molecular Weight418.88 g/mol
Exact Mass418.12
IUPAC NameN-[1-[4-(1H-benzimidazol-2-yl)anilino]-1-oxopropan-2-yl]-4-chlorobenzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C23H19ClN4O2/c1-14(25-23(30)16-6-10-17(24)11-7-16)22(29)26-18-12-8-15(9-13-18)21-27-19-4-2-3-5-20(19)28-21/h2-14H,1H3,(H,25,30)(H,26,29)(H,27,28)
InChIKeyCMMJXPMEBOZLIM-UHFFFAOYSA-N
XLogP4.64
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-benzimidazol-2-yl)-N-[(1R)-1-phenylethyl]benzamide
CID 100577391
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 2479214
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzamide
CID 3011124
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chloro-2-methylphenoxy)propanamide
CID 3413795
N-[1-[4-(1H-benzimidazol-2-yl)anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 24678812
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide
CID 3701693
4-[2-[(4-chlorobenzoyl)amino]propanoylamino]-N-methylbenzamide
CID 51147091
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 920428
(2S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenoxypropanamide
CID 1365329
4-(6-chloro-1H-benzimidazol-2-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 100580774
4-chloro-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]benzamide
CID 164517199
[1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 23943862

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(1H-benzimidazol-2-yl)anilino]-1-oxopropan-2-yl]-4-chlorobenzamide?
The IUPAC name of N-[1-[4-(1H-benzimidazol-2-yl)anilino]-1-oxopropan-2-yl]-4-chlorobenzamide (CID 112767961) is N-[1-[4-(1H-benzimidazol-2-yl)anilino]-1-oxopropan-2-yl]-4-chlorobenzamide.
What is the SMILES notation for N-[1-[4-(1H-benzimidazol-2-yl)anilino]-1-oxopropan-2-yl]-4-chlorobenzamide?
The canonical SMILES for N-[1-[4-(1H-benzimidazol-2-yl)anilino]-1-oxopropan-2-yl]-4-chlorobenzamide is CC(NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[1-[4-(1H-benzimidazol-2-yl)anilino]-1-oxopropan-2-yl]-4-chlorobenzamide?
The InChIKey is CMMJXPMEBOZLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O2/c1-14(25-23(30)16-6-10-17(24)11-7-16)22(29)26-18-12-8-15(9-13-18)21-27-19-4-2-3-5-20(19)28-21/h2-14H,1H3,(H,25,30)(H,26,29)(H,27,28).
What are the key properties of N-[1-[4-(1H-benzimidazol-2-yl)anilino]-1-oxopropan-2-yl]-4-chlorobenzamide?
N-[1-[4-(1H-benzimidazol-2-yl)anilino]-1-oxopropan-2-yl]-4-chlorobenzamide has a molecular weight of 418.88 g/mol, XLogP of 4.64, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(1H-benzimidazol-2-yl)anilino]-1-oxopropan-2-yl]-4-chlorobenzamide is sourced from PubChem (CID 112767961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).