N-[(4-tert-butylphenyl)methyl]-4-(6-chloro-1H-benzimidazol-2-yl)benzamide

C25H24ClN3O — CID 44534674

IUPACN-[(4-tert-butylphenyl)methyl]-4-(6-chloro-1H-benzimidazol-2-yl)benzamide
SMILESCC(C)(C)c1ccc(CNC(=O)c2ccc(-c3nc4ccc(Cl)cc4[nH]3)cc2)cc1
InChIInChI=1S/C25H24ClN3O/c1-25(2,3)19-10-4-16(5-11-19)15-27-24(30)18-8-6-17(7-9-18)23-28-21-13-12-20(26)14-22(21)29-23/h4-14H,15H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyAZQXCGNWBRPXTO-UHFFFAOYSA-N
MW417.94 g/mol
LogP6.11
Rot. Bonds4

About N-[(4-tert-butylphenyl)methyl]-4-(6-chloro-1H-benzimidazol-2-yl)benzamide

N-[(4-tert-butylphenyl)methyl]-4-(6-chloro-1H-benzimidazol-2-yl)benzamide (PubChem CID 44534674) has the molecular formula C25H24ClN3O and a molecular weight of 417.94 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-4-(6-chloro-1H-benzimidazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-4-(6-chloro-1H-benzimidazol-2-yl)benzamide
PubChem CID44534674
Molecular FormulaC25H24ClN3O
Molecular Weight417.94 g/mol
Exact Mass417.16
IUPAC NameN-[(4-tert-butylphenyl)methyl]-4-(6-chloro-1H-benzimidazol-2-yl)benzamide
SMILESCC(C)(C)c1ccc(CNC(=O)c2ccc(-c3nc4ccc(Cl)cc4[nH]3)cc2)cc1
InChIInChI=1S/C25H24ClN3O/c1-25(2,3)19-10-4-16(5-11-19)15-27-24(30)18-8-6-17(7-9-18)23-28-21-13-12-20(26)14-22(21)29-23/h4-14H,15H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyAZQXCGNWBRPXTO-UHFFFAOYSA-N
XLogP6.11
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.94
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-4-(6-chloro-1H-benzimidazol-2-yl)benzamide?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-4-(6-chloro-1H-benzimidazol-2-yl)benzamide (CID 44534674) is N-[(4-tert-butylphenyl)methyl]-4-(6-chloro-1H-benzimidazol-2-yl)benzamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-4-(6-chloro-1H-benzimidazol-2-yl)benzamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-4-(6-chloro-1H-benzimidazol-2-yl)benzamide is CC(C)(C)c1ccc(CNC(=O)c2ccc(-c3nc4ccc(Cl)cc4[nH]3)cc2)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-4-(6-chloro-1H-benzimidazol-2-yl)benzamide?
The InChIKey is AZQXCGNWBRPXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O/c1-25(2,3)19-10-4-16(5-11-19)15-27-24(30)18-8-6-17(7-9-18)23-28-21-13-12-20(26)14-22(21)29-23/h4-14H,15H2,1-3H3,(H,27,30)(H,28,29).
What are the key properties of N-[(4-tert-butylphenyl)methyl]-4-(6-chloro-1H-benzimidazol-2-yl)benzamide?
N-[(4-tert-butylphenyl)methyl]-4-(6-chloro-1H-benzimidazol-2-yl)benzamide has a molecular weight of 417.94 g/mol, XLogP of 6.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-4-(6-chloro-1H-benzimidazol-2-yl)benzamide is sourced from PubChem (CID 44534674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).