4-butoxy-N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide

C25H24ClN3O2 — CID 54858428

IUPAC4-butoxy-N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(-c3nc4cc(Cl)c(C)cc4[nH]3)cc2)cc1
InChIInChI=1S/C25H24ClN3O2/c1-3-4-13-31-20-11-7-18(8-12-20)25(30)27-19-9-5-17(6-10-19)24-28-22-14-16(2)21(26)15-23(22)29-24/h5-12,14-15H,3-4,13H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyBLUISZAPWUAMPU-UHFFFAOYSA-N
MW433.94 g/mol
LogP6.62
Rot. Bonds7

About 4-butoxy-N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide

4-butoxy-N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide (PubChem CID 54858428) has the molecular formula C25H24ClN3O2 and a molecular weight of 433.94 g/mol. Its IUPAC name is 4-butoxy-N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide
PubChem CID54858428
Molecular FormulaC25H24ClN3O2
Molecular Weight433.94 g/mol
Exact Mass433.16
IUPAC Name4-butoxy-N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(-c3nc4cc(Cl)c(C)cc4[nH]3)cc2)cc1
InChIInChI=1S/C25H24ClN3O2/c1-3-4-13-31-20-11-7-18(8-12-20)25(30)27-19-9-5-17(6-10-19)24-28-22-14-16(2)21(26)15-23(22)29-24/h5-12,14-15H,3-4,13H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyBLUISZAPWUAMPU-UHFFFAOYSA-N
XLogP6.62
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.94
LogP ≤ 56.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-ethylphenoxy)acetamide
CID 54858782
N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 54859094
4-methoxy-N-[4-[6-(pentanoylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 20694879
3-chloro-N-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-4-ethoxybenzamide
CID 54858335
N-(3,4-dichlorophenyl)-4-hexoxybenzamide
CID 4933556
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-heptoxybenzamide
CID 3131474
3-chloro-4-ethoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide
CID 17297281
N-(4-heptoxyphenyl)-4-(4-methoxyphenyl)benzamide
CID 101044220
N-[4-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]phenyl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide
CID 58409034
N-[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]acetamide
CID 46861752
4-(dipropylamino)-N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 139827123
N-(3-chloro-4-fluorophenyl)-4-heptoxybenzamide
CID 4950672

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide?
The IUPAC name of 4-butoxy-N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide (CID 54858428) is 4-butoxy-N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide?
The canonical SMILES for 4-butoxy-N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide is CCCCOc1ccc(C(=O)Nc2ccc(-c3nc4cc(Cl)c(C)cc4[nH]3)cc2)cc1.
What is the InChIKey of 4-butoxy-N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide?
The InChIKey is BLUISZAPWUAMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O2/c1-3-4-13-31-20-11-7-18(8-12-20)25(30)27-19-9-5-17(6-10-19)24-28-22-14-16(2)21(26)15-23(22)29-24/h5-12,14-15H,3-4,13H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of 4-butoxy-N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide?
4-butoxy-N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide has a molecular weight of 433.94 g/mol, XLogP of 6.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 54858428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).