3,4-dichloro-N-[2-[4-(methylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide

C22H16Cl2N4O2 — CID 10296923

IUPAC3,4-dichloro-N-[2-[4-(methylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide
SMILESCNC(=O)c1ccc(-c2nc3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cc3[nH]2)cc1
InChIInChI=1S/C22H16Cl2N4O2/c1-25-21(29)13-4-2-12(3-5-13)20-27-18-9-7-15(11-19(18)28-20)26-22(30)14-6-8-16(23)17(24)10-14/h2-11H,1H3,(H,25,29)(H,26,30)(H,27,28)
InChIKeyJFCPYXKRXPCVMK-UHFFFAOYSA-N
MW439.30 g/mol
LogP5.15
Rot. Bonds4

About 3,4-dichloro-N-[2-[4-(methylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide

3,4-dichloro-N-[2-[4-(methylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide (PubChem CID 10296923) has the molecular formula C22H16Cl2N4O2 and a molecular weight of 439.30 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-[4-(methylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-[4-(methylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide
PubChem CID10296923
Molecular FormulaC22H16Cl2N4O2
Molecular Weight439.30 g/mol
Exact Mass438.07
IUPAC Name3,4-dichloro-N-[2-[4-(methylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide
SMILESCNC(=O)c1ccc(-c2nc3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cc3[nH]2)cc1
InChIInChI=1S/C22H16Cl2N4O2/c1-25-21(29)13-4-2-12(3-5-13)20-27-18-9-7-15(11-19(18)28-20)26-22(30)14-6-8-16(23)17(24)10-14/h2-11H,1H3,(H,25,29)(H,26,30)(H,27,28)
InChIKeyJFCPYXKRXPCVMK-UHFFFAOYSA-N
XLogP5.15
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.30
LogP ≤ 55.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-[4-(methylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-[4-(methylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide (CID 10296923) is 3,4-dichloro-N-[2-[4-(methylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-[4-(methylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-[4-(methylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide is CNC(=O)c1ccc(-c2nc3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cc3[nH]2)cc1.
What is the InChIKey of 3,4-dichloro-N-[2-[4-(methylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide?
The InChIKey is JFCPYXKRXPCVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N4O2/c1-25-21(29)13-4-2-12(3-5-13)20-27-18-9-7-15(11-19(18)28-20)26-22(30)14-6-8-16(23)17(24)10-14/h2-11H,1H3,(H,25,29)(H,26,30)(H,27,28).
What are the key properties of 3,4-dichloro-N-[2-[4-(methylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide?
3,4-dichloro-N-[2-[4-(methylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide has a molecular weight of 439.30 g/mol, XLogP of 5.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-[4-(methylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide is sourced from PubChem (CID 10296923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).