3-acetamido-N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]benzamide

C28H22N4O2 — CID 44523579

IUPAC3-acetamido-N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2cccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)c2)c1
InChIInChI=1S/C28H22N4O2/c1-18(33)29-23-11-6-10-22(17-23)28(34)30-24-12-5-8-20(16-24)19-7-4-9-21(15-19)27-31-25-13-2-3-14-26(25)32-27/h2-17H,1H3,(H,29,33)(H,30,34)(H,31,32)
InChIKeyWIKGXIIZIZRLDS-UHFFFAOYSA-N
MW446.51 g/mol
LogP6.11
Rot. Bonds5

About 3-acetamido-N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]benzamide

3-acetamido-N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]benzamide (PubChem CID 44523579) has the molecular formula C28H22N4O2 and a molecular weight of 446.51 g/mol. Its IUPAC name is 3-acetamido-N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]benzamide
PubChem CID44523579
Molecular FormulaC28H22N4O2
Molecular Weight446.51 g/mol
Exact Mass446.17
IUPAC Name3-acetamido-N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2cccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)c2)c1
InChIInChI=1S/C28H22N4O2/c1-18(33)29-23-11-6-10-22(17-23)28(34)30-24-12-5-8-20(16-24)19-7-4-9-21(15-19)27-31-25-13-2-3-14-26(25)32-27/h2-17H,1H3,(H,29,33)(H,30,34)(H,31,32)
InChIKeyWIKGXIIZIZRLDS-UHFFFAOYSA-N
XLogP6.11
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.51
LogP ≤ 56.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl] acetate
CID 5058448
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-ethylsulfonylbenzamide
CID 7522685
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dimethylbenzamide
CID 969400
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 4124334
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide
CID 2810335
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-butoxybenzamide
CID 15997481
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(2,2-dimethylpropanoylamino)benzamide
CID 1271219
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide
CID 1104078
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 5127236
N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-methylfuran-2-carboxamide
CID 44530614
N-[3-(1H-benzimidazol-2-yl)phenyl]-2,6-difluorobenzamide
CID 3706187
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-methylpropanamide
CID 763445

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]benzamide?
The IUPAC name of 3-acetamido-N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]benzamide (CID 44523579) is 3-acetamido-N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]benzamide.
What is the SMILES notation for 3-acetamido-N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]benzamide?
The canonical SMILES for 3-acetamido-N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]benzamide is CC(=O)Nc1cccc(C(=O)Nc2cccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)c2)c1.
What is the InChIKey of 3-acetamido-N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]benzamide?
The InChIKey is WIKGXIIZIZRLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N4O2/c1-18(33)29-23-11-6-10-22(17-23)28(34)30-24-12-5-8-20(16-24)19-7-4-9-21(15-19)27-31-25-13-2-3-14-26(25)32-27/h2-17H,1H3,(H,29,33)(H,30,34)(H,31,32).
What are the key properties of 3-acetamido-N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]benzamide?
3-acetamido-N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]benzamide has a molecular weight of 446.51 g/mol, XLogP of 6.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]benzamide is sourced from PubChem (CID 44523579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).