N-[2-(4-chlorophenyl)-1-(4,5,6,7-tetramethyl-1H-benzimidazol-2-yl)ethenyl]benzamide

C26H24ClN3O — CID 2731679

IUPACN-[2-(4-chlorophenyl)-1-(4,5,6,7-tetramethyl-1H-benzimidazol-2-yl)ethenyl]benzamide
SMILESCc1c(C)c(C)c2[nH]c(C(=Cc3ccc(Cl)cc3)NC(=O)c3ccccc3)nc2c1C
InChIInChI=1S/C26H24ClN3O/c1-15-16(2)18(4)24-23(17(15)3)29-25(30-24)22(14-19-10-12-21(27)13-11-19)28-26(31)20-8-6-5-7-9-20/h5-14H,1-4H3,(H,28,31)(H,29,30)
InChIKeyKUEXEIDPNVCTKY-UHFFFAOYSA-N
MW429.95 g/mol
LogP6.38
Rot. Bonds4

About N-[2-(4-chlorophenyl)-1-(4,5,6,7-tetramethyl-1H-benzimidazol-2-yl)ethenyl]benzamide

N-[2-(4-chlorophenyl)-1-(4,5,6,7-tetramethyl-1H-benzimidazol-2-yl)ethenyl]benzamide (PubChem CID 2731679) has the molecular formula C26H24ClN3O and a molecular weight of 429.95 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-1-(4,5,6,7-tetramethyl-1H-benzimidazol-2-yl)ethenyl]benzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-1-(4,5,6,7-tetramethyl-1H-benzimidazol-2-yl)ethenyl]benzamide
PubChem CID2731679
Molecular FormulaC26H24ClN3O
Molecular Weight429.95 g/mol
Exact Mass429.16
IUPAC NameN-[2-(4-chlorophenyl)-1-(4,5,6,7-tetramethyl-1H-benzimidazol-2-yl)ethenyl]benzamide
SMILESCc1c(C)c(C)c2[nH]c(C(=Cc3ccc(Cl)cc3)NC(=O)c3ccccc3)nc2c1C
InChIInChI=1S/C26H24ClN3O/c1-15-16(2)18(4)24-23(17(15)3)29-25(30-24)22(14-19-10-12-21(27)13-11-19)28-26(31)20-8-6-5-7-9-20/h5-14H,1-4H3,(H,28,31)(H,29,30)
InChIKeyKUEXEIDPNVCTKY-UHFFFAOYSA-N
XLogP6.38
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.95
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-1-(4,5,6,7-tetramethyl-1H-benzimidazol-2-yl)ethenyl]benzamide?
The IUPAC name of N-[2-(4-chlorophenyl)-1-(4,5,6,7-tetramethyl-1H-benzimidazol-2-yl)ethenyl]benzamide (CID 2731679) is N-[2-(4-chlorophenyl)-1-(4,5,6,7-tetramethyl-1H-benzimidazol-2-yl)ethenyl]benzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-1-(4,5,6,7-tetramethyl-1H-benzimidazol-2-yl)ethenyl]benzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-1-(4,5,6,7-tetramethyl-1H-benzimidazol-2-yl)ethenyl]benzamide is Cc1c(C)c(C)c2[nH]c(C(=Cc3ccc(Cl)cc3)NC(=O)c3ccccc3)nc2c1C.
What is the InChIKey of N-[2-(4-chlorophenyl)-1-(4,5,6,7-tetramethyl-1H-benzimidazol-2-yl)ethenyl]benzamide?
The InChIKey is KUEXEIDPNVCTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O/c1-15-16(2)18(4)24-23(17(15)3)29-25(30-24)22(14-19-10-12-21(27)13-11-19)28-26(31)20-8-6-5-7-9-20/h5-14H,1-4H3,(H,28,31)(H,29,30).
What are the key properties of N-[2-(4-chlorophenyl)-1-(4,5,6,7-tetramethyl-1H-benzimidazol-2-yl)ethenyl]benzamide?
N-[2-(4-chlorophenyl)-1-(4,5,6,7-tetramethyl-1H-benzimidazol-2-yl)ethenyl]benzamide has a molecular weight of 429.95 g/mol, XLogP of 6.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-1-(4,5,6,7-tetramethyl-1H-benzimidazol-2-yl)ethenyl]benzamide is sourced from PubChem (CID 2731679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).