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

C16H15N3O — CID 2583738

IUPACN-(1H-benzimidazol-2-yl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C16H15N3O/c1-2-11-7-9-12(10-8-11)15(20)19-16-17-13-5-3-4-6-14(13)18-16/h3-10H,2H2,1H3,(H2,17,18,19,20)
InChIKeyCLIKVKNRVFGNSJ-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.38
Rot. Bonds3

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

N-(1H-benzimidazol-2-yl)-4-ethylbenzamide (PubChem CID 2583738) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-4-ethylbenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-4-ethylbenzamide
PubChem CID2583738
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC NameN-(1H-benzimidazol-2-yl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C16H15N3O/c1-2-11-7-9-12(10-8-11)15(20)19-16-17-13-5-3-4-6-14(13)18-16/h3-10H,2H2,1H3,(H2,17,18,19,20)
InChIKeyCLIKVKNRVFGNSJ-UHFFFAOYSA-N
XLogP3.38
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-4-ethylbenzamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-4-ethylbenzamide (CID 2583738) is N-(1H-benzimidazol-2-yl)-4-ethylbenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-4-ethylbenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-4-ethylbenzamide is CCc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-4-ethylbenzamide?
The InChIKey is CLIKVKNRVFGNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-2-11-7-9-12(10-8-11)15(20)19-16-17-13-5-3-4-6-14(13)18-16/h3-10H,2H2,1H3,(H2,17,18,19,20).
What are the key properties of N-(1H-benzimidazol-2-yl)-4-ethylbenzamide?
N-(1H-benzimidazol-2-yl)-4-ethylbenzamide has a molecular weight of 265.32 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-4-ethylbenzamide is sourced from PubChem (CID 2583738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).