2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carbonitrile

C14H7Cl2N3 — CID 78908144

IUPAC2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(-c3cccc(Cl)c3Cl)[nH]c2c1
InChIInChI=1S/C14H7Cl2N3/c15-10-3-1-2-9(13(10)16)14-18-11-5-4-8(7-17)6-12(11)19-14/h1-6H,(H,18,19)
InChIKeyCXGDGKUQQWGARU-UHFFFAOYSA-N
MW288.14 g/mol
LogP4.41
Rot. Bonds1

About 2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carbonitrile

2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carbonitrile (PubChem CID 78908144) has the molecular formula C14H7Cl2N3 and a molecular weight of 288.14 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carbonitrile
PubChem CID78908144
Molecular FormulaC14H7Cl2N3
Molecular Weight288.14 g/mol
Exact Mass287.00
IUPAC Name2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(-c3cccc(Cl)c3Cl)[nH]c2c1
InChIInChI=1S/C14H7Cl2N3/c15-10-3-1-2-9(13(10)16)14-18-11-5-4-8(7-17)6-12(11)19-14/h1-6H,(H,18,19)
InChIKeyCXGDGKUQQWGARU-UHFFFAOYSA-N
XLogP4.41
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carbonitrile?
The IUPAC name of 2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carbonitrile (CID 78908144) is 2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carbonitrile?
The canonical SMILES for 2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carbonitrile is N#Cc1ccc2nc(-c3cccc(Cl)c3Cl)[nH]c2c1.
What is the InChIKey of 2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carbonitrile?
The InChIKey is CXGDGKUQQWGARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2N3/c15-10-3-1-2-9(13(10)16)14-18-11-5-4-8(7-17)6-12(11)19-14/h1-6H,(H,18,19).
What are the key properties of 2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carbonitrile?
2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carbonitrile has a molecular weight of 288.14 g/mol, XLogP of 4.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carbonitrile is sourced from PubChem (CID 78908144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).