N-(1H-benzimidazol-2-yl)-4-benzoylbenzamide

C21H15N3O2 — CID 21449937

IUPACN-(1H-benzimidazol-2-yl)-4-benzoylbenzamide
SMILESO=C(Nc1nc2ccccc2[nH]1)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C21H15N3O2/c25-19(14-6-2-1-3-7-14)15-10-12-16(13-11-15)20(26)24-21-22-17-8-4-5-9-18(17)23-21/h1-13H,(H2,22,23,24,26)
InChIKeyKKLDFKDCGQCPEZ-UHFFFAOYSA-N
MW341.37 g/mol
LogP4.05
Rot. Bonds4

About N-(1H-benzimidazol-2-yl)-4-benzoylbenzamide

N-(1H-benzimidazol-2-yl)-4-benzoylbenzamide (PubChem CID 21449937) has the molecular formula C21H15N3O2 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-4-benzoylbenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-4-benzoylbenzamide
PubChem CID21449937
Molecular FormulaC21H15N3O2
Molecular Weight341.37 g/mol
Exact Mass341.12
IUPAC NameN-(1H-benzimidazol-2-yl)-4-benzoylbenzamide
SMILESO=C(Nc1nc2ccccc2[nH]1)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C21H15N3O2/c25-19(14-6-2-1-3-7-14)15-10-12-16(13-11-15)20(26)24-21-22-17-8-4-5-9-18(17)23-21/h1-13H,(H2,22,23,24,26)
InChIKeyKKLDFKDCGQCPEZ-UHFFFAOYSA-N
XLogP4.05
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-4-benzoylbenzamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-4-benzoylbenzamide (CID 21449937) is N-(1H-benzimidazol-2-yl)-4-benzoylbenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-4-benzoylbenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-4-benzoylbenzamide is O=C(Nc1nc2ccccc2[nH]1)c1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-4-benzoylbenzamide?
The InChIKey is KKLDFKDCGQCPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O2/c25-19(14-6-2-1-3-7-14)15-10-12-16(13-11-15)20(26)24-21-22-17-8-4-5-9-18(17)23-21/h1-13H,(H2,22,23,24,26).
What are the key properties of N-(1H-benzimidazol-2-yl)-4-benzoylbenzamide?
N-(1H-benzimidazol-2-yl)-4-benzoylbenzamide has a molecular weight of 341.37 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-4-benzoylbenzamide is sourced from PubChem (CID 21449937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).