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

C28H20ClN3O2 — CID 20695041

IUPACN-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-3-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C(=O)c5ccccc5)cc4[nH]3)cc2)cc1Cl
InChIInChI=1S/C28H20ClN3O2/c1-17-7-8-21(15-23(17)29)28(34)30-22-12-9-19(10-13-22)27-31-24-14-11-20(16-25(24)32-27)26(33)18-5-3-2-4-6-18/h2-16H,1H3,(H,30,34)(H,31,32)
InChIKeyDBLAACCZTHEQIT-UHFFFAOYSA-N
MW465.94 g/mol
LogP6.68
Rot. Bonds5

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

N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-3-chloro-4-methylbenzamide (PubChem CID 20695041) has the molecular formula C28H20ClN3O2 and a molecular weight of 465.94 g/mol. Its IUPAC name is N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-3-chloro-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-3-chloro-4-methylbenzamide
PubChem CID20695041
Molecular FormulaC28H20ClN3O2
Molecular Weight465.94 g/mol
Exact Mass465.12
IUPAC NameN-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-3-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C(=O)c5ccccc5)cc4[nH]3)cc2)cc1Cl
InChIInChI=1S/C28H20ClN3O2/c1-17-7-8-21(15-23(17)29)28(34)30-22-12-9-19(10-13-22)27-31-24-14-11-20(16-25(24)32-27)26(33)18-5-3-2-4-6-18/h2-16H,1H3,(H,30,34)(H,31,32)
InChIKeyDBLAACCZTHEQIT-UHFFFAOYSA-N
XLogP6.68
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.94
LogP ≤ 56.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-3-chloro-4-methylbenzamide?
The IUPAC name of N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-3-chloro-4-methylbenzamide (CID 20695041) is N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-3-chloro-4-methylbenzamide.
What is the SMILES notation for N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-3-chloro-4-methylbenzamide?
The canonical SMILES for N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-3-chloro-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C(=O)c5ccccc5)cc4[nH]3)cc2)cc1Cl.
What is the InChIKey of N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-3-chloro-4-methylbenzamide?
The InChIKey is DBLAACCZTHEQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20ClN3O2/c1-17-7-8-21(15-23(17)29)28(34)30-22-12-9-19(10-13-22)27-31-24-14-11-20(16-25(24)32-27)26(33)18-5-3-2-4-6-18/h2-16H,1H3,(H,30,34)(H,31,32).
What are the key properties of N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-3-chloro-4-methylbenzamide?
N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-3-chloro-4-methylbenzamide has a molecular weight of 465.94 g/mol, XLogP of 6.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-3-chloro-4-methylbenzamide is sourced from PubChem (CID 20695041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).