N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2-(4-chlorophenoxy)-2-methylpropanamide

C23H19Cl2N3O2 — CID 2980690

IUPACN-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2-(4-chlorophenoxy)-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl
InChIInChI=1S/C23H19Cl2N3O2/c1-23(2,30-16-10-8-15(24)9-11-16)22(29)28-20-13-14(7-12-17(20)25)21-26-18-5-3-4-6-19(18)27-21/h3-13H,1-2H3,(H,26,27)(H,28,29)
InChIKeyNRJBMELMJJTJSZ-UHFFFAOYSA-N
MW440.33 g/mol
LogP6.33
Rot. Bonds5

About N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2-(4-chlorophenoxy)-2-methylpropanamide

N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2-(4-chlorophenoxy)-2-methylpropanamide (PubChem CID 2980690) has the molecular formula C23H19Cl2N3O2 and a molecular weight of 440.33 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2-(4-chlorophenoxy)-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2-(4-chlorophenoxy)-2-methylpropanamide
PubChem CID2980690
Molecular FormulaC23H19Cl2N3O2
Molecular Weight440.33 g/mol
Exact Mass439.09
IUPAC NameN-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2-(4-chlorophenoxy)-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl
InChIInChI=1S/C23H19Cl2N3O2/c1-23(2,30-16-10-8-15(24)9-11-16)22(29)28-20-13-14(7-12-17(20)25)21-26-18-5-3-4-6-19(18)27-21/h3-13H,1-2H3,(H,26,27)(H,28,29)
InChIKeyNRJBMELMJJTJSZ-UHFFFAOYSA-N
XLogP6.33
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.33
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2,2-dimethylpropanamide
CID 17100751
N-[4-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methyl-2-phenoxypropanamide
CID 30308683
N-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-(4-chlorophenoxy)-2-methylpropanamide
CID 30308671
N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2,2,2-trifluoroacetamide
CID 17334874
N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2-methylpropanamide;hydrochloride
CID 146052786
N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-3,4,5-trimethoxybenzamide
CID 2033052
N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-2-(4-chlorophenoxy)acetamide
CID 17093159
N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-(4-tert-butylphenoxy)-2-methylpropanamide
CID 17274238
N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methyl-2-phenoxypropanamide
CID 30308653
N-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methyl-2-phenoxypropanamide
CID 30308665
(E)-N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 17116712
N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]thiophene-2-carboxamide
CID 6457189

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2-(4-chlorophenoxy)-2-methylpropanamide?
The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2-(4-chlorophenoxy)-2-methylpropanamide (CID 2980690) is N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2-(4-chlorophenoxy)-2-methylpropanamide.
What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2-(4-chlorophenoxy)-2-methylpropanamide?
The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2-(4-chlorophenoxy)-2-methylpropanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl.
What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2-(4-chlorophenoxy)-2-methylpropanamide?
The InChIKey is NRJBMELMJJTJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N3O2/c1-23(2,30-16-10-8-15(24)9-11-16)22(29)28-20-13-14(7-12-17(20)25)21-26-18-5-3-4-6-19(18)27-21/h3-13H,1-2H3,(H,26,27)(H,28,29).
What are the key properties of N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2-(4-chlorophenoxy)-2-methylpropanamide?
N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2-(4-chlorophenoxy)-2-methylpropanamide has a molecular weight of 440.33 g/mol, XLogP of 6.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2-(4-chlorophenoxy)-2-methylpropanamide is sourced from PubChem (CID 2980690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).