6-chloro-2,3-dimethylbenzimidazole-5-carbonitrile

C10H8ClN3 — CID 171820077

IUPAC6-chloro-2,3-dimethylbenzimidazole-5-carbonitrile
SMILESCc1nc2cc(Cl)c(C#N)cc2n1C
InChIInChI=1S/C10H8ClN3/c1-6-13-9-4-8(11)7(5-12)3-10(9)14(6)2/h3-4H,1-2H3
InChIKeyVCQYNMYXMIOOIS-UHFFFAOYSA-N
MW205.65 g/mol
LogP2.41
Rot. Bonds

About 6-chloro-2,3-dimethylbenzimidazole-5-carbonitrile

6-chloro-2,3-dimethylbenzimidazole-5-carbonitrile (PubChem CID 171820077) has the molecular formula C10H8ClN3 and a molecular weight of 205.65 g/mol. Its IUPAC name is 6-chloro-2,3-dimethylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name6-chloro-2,3-dimethylbenzimidazole-5-carbonitrile
PubChem CID171820077
Molecular FormulaC10H8ClN3
Molecular Weight205.65 g/mol
Exact Mass205.04
IUPAC Name6-chloro-2,3-dimethylbenzimidazole-5-carbonitrile
SMILESCc1nc2cc(Cl)c(C#N)cc2n1C
InChIInChI=1S/C10H8ClN3/c1-6-13-9-4-8(11)7(5-12)3-10(9)14(6)2/h3-4H,1-2H3
InChIKeyVCQYNMYXMIOOIS-UHFFFAOYSA-N
XLogP2.41
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.65
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,3-dimethylbenzimidazole-5-carbonitrile?
The IUPAC name of 6-chloro-2,3-dimethylbenzimidazole-5-carbonitrile (CID 171820077) is 6-chloro-2,3-dimethylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 6-chloro-2,3-dimethylbenzimidazole-5-carbonitrile?
The canonical SMILES for 6-chloro-2,3-dimethylbenzimidazole-5-carbonitrile is Cc1nc2cc(Cl)c(C#N)cc2n1C.
What is the InChIKey of 6-chloro-2,3-dimethylbenzimidazole-5-carbonitrile?
The InChIKey is VCQYNMYXMIOOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3/c1-6-13-9-4-8(11)7(5-12)3-10(9)14(6)2/h3-4H,1-2H3.
What are the key properties of 6-chloro-2,3-dimethylbenzimidazole-5-carbonitrile?
6-chloro-2,3-dimethylbenzimidazole-5-carbonitrile has a molecular weight of 205.65 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,3-dimethylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 171820077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).