4-(6-chloro-1H-benzimidazol-2-yl)-N-ethylbenzamide

C16H14ClN3O — CID 100579654

IUPAC4-(6-chloro-1H-benzimidazol-2-yl)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C16H14ClN3O/c1-2-18-16(21)11-5-3-10(4-6-11)15-19-13-8-7-12(17)9-14(13)20-15/h3-9H,2H2,1H3,(H,18,21)(H,19,20)
InChIKeyFNPYVDFWBHUCRP-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.63
Rot. Bonds3

About 4-(6-chloro-1H-benzimidazol-2-yl)-N-ethylbenzamide

4-(6-chloro-1H-benzimidazol-2-yl)-N-ethylbenzamide (PubChem CID 100579654) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 4-(6-chloro-1H-benzimidazol-2-yl)-N-ethylbenzamide.

Molecular Properties

Compound Name4-(6-chloro-1H-benzimidazol-2-yl)-N-ethylbenzamide
PubChem CID100579654
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name4-(6-chloro-1H-benzimidazol-2-yl)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C16H14ClN3O/c1-2-18-16(21)11-5-3-10(4-6-11)15-19-13-8-7-12(17)9-14(13)20-15/h3-9H,2H2,1H3,(H,18,21)(H,19,20)
InChIKeyFNPYVDFWBHUCRP-UHFFFAOYSA-N
XLogP3.63
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-1H-benzimidazol-2-yl)-N-ethylbenzamide?
The IUPAC name of 4-(6-chloro-1H-benzimidazol-2-yl)-N-ethylbenzamide (CID 100579654) is 4-(6-chloro-1H-benzimidazol-2-yl)-N-ethylbenzamide.
What is the SMILES notation for 4-(6-chloro-1H-benzimidazol-2-yl)-N-ethylbenzamide?
The canonical SMILES for 4-(6-chloro-1H-benzimidazol-2-yl)-N-ethylbenzamide is CCNC(=O)c1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1.
What is the InChIKey of 4-(6-chloro-1H-benzimidazol-2-yl)-N-ethylbenzamide?
The InChIKey is FNPYVDFWBHUCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-2-18-16(21)11-5-3-10(4-6-11)15-19-13-8-7-12(17)9-14(13)20-15/h3-9H,2H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 4-(6-chloro-1H-benzimidazol-2-yl)-N-ethylbenzamide?
4-(6-chloro-1H-benzimidazol-2-yl)-N-ethylbenzamide has a molecular weight of 299.76 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-1H-benzimidazol-2-yl)-N-ethylbenzamide is sourced from PubChem (CID 100579654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).