2-(2,5-dichlorophenyl)-1H-benzimidazole-4-carbonitrile

C14H7Cl2N3 — CID 104720410

IUPAC2-(2,5-dichlorophenyl)-1H-benzimidazole-4-carbonitrile
SMILESN#Cc1cccc2[nH]c(-c3cc(Cl)ccc3Cl)nc12
InChIInChI=1S/C14H7Cl2N3/c15-9-4-5-11(16)10(6-9)14-18-12-3-1-2-8(7-17)13(12)19-14/h1-6H,(H,18,19)
InChIKeyMXNJVIGVKDDHBR-UHFFFAOYSA-N
MW288.14 g/mol
LogP4.41
Rot. Bonds1

About 2-(2,5-dichlorophenyl)-1H-benzimidazole-4-carbonitrile

2-(2,5-dichlorophenyl)-1H-benzimidazole-4-carbonitrile (PubChem CID 104720410) has the molecular formula C14H7Cl2N3 and a molecular weight of 288.14 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-1H-benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-1H-benzimidazole-4-carbonitrile
PubChem CID104720410
Molecular FormulaC14H7Cl2N3
Molecular Weight288.14 g/mol
Exact Mass287.00
IUPAC Name2-(2,5-dichlorophenyl)-1H-benzimidazole-4-carbonitrile
SMILESN#Cc1cccc2[nH]c(-c3cc(Cl)ccc3Cl)nc12
InChIInChI=1S/C14H7Cl2N3/c15-9-4-5-11(16)10(6-9)14-18-12-3-1-2-8(7-17)13(12)19-14/h1-6H,(H,18,19)
InChIKeyMXNJVIGVKDDHBR-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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Related Compounds

2-(3-chloro-4-pyridinyl)-1H-benzimidazole-4-carbonitrile
CID 104720679
2-(2,5-dimethylphenyl)-1H-benzimidazole-4-carbonitrile
CID 104720542
2-(3-chloro-5-methylphenyl)-1H-benzimidazole-4-carbonitrile
CID 104720532
2-phenyl-1H-benzimidazole-4-carbonitrile
CID 83412719
2-naphthalen-1-yl-1H-benzimidazole-4-carbonitrile
CID 104720555
2-(5-fluoro-2-methylphenyl)-1H-benzimidazole-4-carbonitrile
CID 104720685
2-(2,5-dichlorophenyl)-3H-benzimidazole-5-carbonitrile
CID 79004183
2-(2-bromo-5-fluorophenyl)-1H-benzimidazole-4-carbonitrile
CID 104720565
2-(4-fluoro-2-methylphenyl)-1H-benzimidazole-4-carbonitrile
CID 104720485
2-[3-(dimethylamino)phenyl]-1H-benzimidazole-4-carbonitrile
CID 104720365
2-(2,4,6-trimethylphenyl)-1H-benzimidazole-4-carbonitrile
CID 104720674
2-(2-bromo-5-methoxyphenyl)-1H-benzimidazole-4-carbonitrile
CID 104720650

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-1H-benzimidazole-4-carbonitrile?
The IUPAC name of 2-(2,5-dichlorophenyl)-1H-benzimidazole-4-carbonitrile (CID 104720410) is 2-(2,5-dichlorophenyl)-1H-benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-1H-benzimidazole-4-carbonitrile?
The canonical SMILES for 2-(2,5-dichlorophenyl)-1H-benzimidazole-4-carbonitrile is N#Cc1cccc2[nH]c(-c3cc(Cl)ccc3Cl)nc12.
What is the InChIKey of 2-(2,5-dichlorophenyl)-1H-benzimidazole-4-carbonitrile?
The InChIKey is MXNJVIGVKDDHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2N3/c15-9-4-5-11(16)10(6-9)14-18-12-3-1-2-8(7-17)13(12)19-14/h1-6H,(H,18,19).
What are the key properties of 2-(2,5-dichlorophenyl)-1H-benzimidazole-4-carbonitrile?
2-(2,5-dichlorophenyl)-1H-benzimidazole-4-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-(2,5-dichlorophenyl)-1H-benzimidazole-4-carbonitrile is sourced from PubChem (CID 104720410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).