2,6-dichloro-1H-benzimidazole-5-carbonitrile

C8H3Cl2N3 — CID 130051786

IUPAC2,6-dichloro-1H-benzimidazole-5-carbonitrile
SMILESN#Cc1cc2nc(Cl)[nH]c2cc1Cl
InChIInChI=1S/C8H3Cl2N3/c9-5-2-7-6(1-4(5)3-11)12-8(10)13-7/h1-2H,(H,12,13)
InChIKeyNRFLZQPTKFNHHB-UHFFFAOYSA-N
MW212.04 g/mol
LogP2.74
Rot. Bonds

About 2,6-dichloro-1H-benzimidazole-5-carbonitrile

2,6-dichloro-1H-benzimidazole-5-carbonitrile (PubChem CID 130051786) has the molecular formula C8H3Cl2N3 and a molecular weight of 212.04 g/mol. Its IUPAC name is 2,6-dichloro-1H-benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2,6-dichloro-1H-benzimidazole-5-carbonitrile
PubChem CID130051786
Molecular FormulaC8H3Cl2N3
Molecular Weight212.04 g/mol
Exact Mass210.97
IUPAC Name2,6-dichloro-1H-benzimidazole-5-carbonitrile
SMILESN#Cc1cc2nc(Cl)[nH]c2cc1Cl
InChIInChI=1S/C8H3Cl2N3/c9-5-2-7-6(1-4(5)3-11)12-8(10)13-7/h1-2H,(H,12,13)
InChIKeyNRFLZQPTKFNHHB-UHFFFAOYSA-N
XLogP2.74
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.04
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-2-ethyl-1H-benzimidazole-5-carbonitrile
CID 112756970
6-bromo-2-chloro-1H-benzimidazole-4-carbonitrile
CID 130983027
6-chloro-2-methyl-1,3-benzothiazole-5-carbonitrile
CID 130063324
5,6-dichloro-2-(4-fluorophenyl)-1H-benzimidazole
CID 4915231
2,6-diamino-3H-benzimidazole-5-carbonitrile
CID 131192182
2-chloro-5-methyl-6-nitro-1H-benzimidazole
CID 137189736
5,6-dichloro-1H-indole-2-carbonitrile
CID 137347280
7-chloro-4-oxo-1H-quinoline-6-carbonitrile
CID 53418906
7-bromo-2-chloro-3H-benzimidazole-4-carbonitrile
CID 130779161
6-chloro-5-iodo-2-methyl-1H-benzimidazole
CID 152925781
5,6-dichloro-2-[(5,6-dichloro-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole
CID 118428722
6-chloro-2,3-dimethylbenzimidazole-5-carbonitrile
CID 171820077

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-1H-benzimidazole-5-carbonitrile?
The IUPAC name of 2,6-dichloro-1H-benzimidazole-5-carbonitrile (CID 130051786) is 2,6-dichloro-1H-benzimidazole-5-carbonitrile.
What is the SMILES notation for 2,6-dichloro-1H-benzimidazole-5-carbonitrile?
The canonical SMILES for 2,6-dichloro-1H-benzimidazole-5-carbonitrile is N#Cc1cc2nc(Cl)[nH]c2cc1Cl.
What is the InChIKey of 2,6-dichloro-1H-benzimidazole-5-carbonitrile?
The InChIKey is NRFLZQPTKFNHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2N3/c9-5-2-7-6(1-4(5)3-11)12-8(10)13-7/h1-2H,(H,12,13).
What are the key properties of 2,6-dichloro-1H-benzimidazole-5-carbonitrile?
2,6-dichloro-1H-benzimidazole-5-carbonitrile has a molecular weight of 212.04 g/mol, XLogP of 2.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-1H-benzimidazole-5-carbonitrile is sourced from PubChem (CID 130051786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).