2-(4-ethoxyphenyl)-3H-benzimidazole-5-carboxamide

C16H15N3O2 — CID 11219756

IUPAC2-(4-ethoxyphenyl)-3H-benzimidazole-5-carboxamide
SMILESCCOc1ccc(-c2nc3ccc(C(N)=O)cc3[nH]2)cc1
InChIInChI=1S/C16H15N3O2/c1-2-21-12-6-3-10(4-7-12)16-18-13-8-5-11(15(17)20)9-14(13)19-16/h3-9H,2H2,1H3,(H2,17,20)(H,18,19)
InChIKeyFKOBSOMUJJNZGG-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.73
Rot. Bonds4

About 2-(4-ethoxyphenyl)-3H-benzimidazole-5-carboxamide

2-(4-ethoxyphenyl)-3H-benzimidazole-5-carboxamide (PubChem CID 11219756) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-3H-benzimidazole-5-carboxamide
PubChem CID11219756
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name2-(4-ethoxyphenyl)-3H-benzimidazole-5-carboxamide
SMILESCCOc1ccc(-c2nc3ccc(C(N)=O)cc3[nH]2)cc1
InChIInChI=1S/C16H15N3O2/c1-2-21-12-6-3-10(4-7-12)16-18-13-8-5-11(15(17)20)9-14(13)19-16/h3-9H,2H2,1H3,(H2,17,20)(H,18,19)
InChIKeyFKOBSOMUJJNZGG-UHFFFAOYSA-N
XLogP2.73
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-(4-ethoxyphenyl)-3H-benzimidazole-5-carboxamide (CID 11219756) is 2-(4-ethoxyphenyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-3H-benzimidazole-5-carboxamide is CCOc1ccc(-c2nc3ccc(C(N)=O)cc3[nH]2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is FKOBSOMUJJNZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-2-21-12-6-3-10(4-7-12)16-18-13-8-5-11(15(17)20)9-14(13)19-16/h3-9H,2H2,1H3,(H2,17,20)(H,18,19).
What are the key properties of 2-(4-ethoxyphenyl)-3H-benzimidazole-5-carboxamide?
2-(4-ethoxyphenyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 11219756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).