2-(5,6-dichloro-1-methylbenzimidazol-2-yl)sulfanylacetonitrile

C10H7Cl2N3S — CID 84617099

IUPAC2-(5,6-dichloro-1-methylbenzimidazol-2-yl)sulfanylacetonitrile
SMILESCn1c(SCC#N)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C10H7Cl2N3S/c1-15-9-5-7(12)6(11)4-8(9)14-10(15)16-3-2-13/h4-5H,3H2,1H3
InChIKeyISQUMEPXGDEHJB-UHFFFAOYSA-N
MW272.16 g/mol
LogP3.50
Rot. Bonds2

About 2-(5,6-dichloro-1-methylbenzimidazol-2-yl)sulfanylacetonitrile

2-(5,6-dichloro-1-methylbenzimidazol-2-yl)sulfanylacetonitrile (PubChem CID 84617099) has the molecular formula C10H7Cl2N3S and a molecular weight of 272.16 g/mol. Its IUPAC name is 2-(5,6-dichloro-1-methylbenzimidazol-2-yl)sulfanylacetonitrile.

Molecular Properties

Compound Name2-(5,6-dichloro-1-methylbenzimidazol-2-yl)sulfanylacetonitrile
PubChem CID84617099
Molecular FormulaC10H7Cl2N3S
Molecular Weight272.16 g/mol
Exact Mass270.97
IUPAC Name2-(5,6-dichloro-1-methylbenzimidazol-2-yl)sulfanylacetonitrile
SMILESCn1c(SCC#N)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C10H7Cl2N3S/c1-15-9-5-7(12)6(11)4-8(9)14-10(15)16-3-2-13/h4-5H,3H2,1H3
InChIKeyISQUMEPXGDEHJB-UHFFFAOYSA-N
XLogP3.50
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-ethyl-1-methylbenzimidazol-2-yl)sulfanylacetonitrile
CID 84617310
2-[5,6-dichloro-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]benzimidazol-2-yl]sulfanylacetonitrile
CID 513034
3-methyl-2-prop-2-ynylsulfanyl-5,6,7,8-tetrahydrobenzo[f]benzimidazole
CID 84617147
3-(1,5-dimethylbenzimidazol-2-yl)sulfanylpropanenitrile
CID 84617278
4-[(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-2-yl)sulfanyl]butanenitrile
CID 84617164
4-(1,5-dimethylbenzimidazol-2-yl)sulfanylbutanenitrile
CID 84617296
3-(5,6-dichloro-2-propan-2-ylbenzimidazol-1-yl)propanenitrile
CID 82146003
6-chloro-2,3-dimethylbenzimidazole-5-carbonitrile
CID 171820077
5,6-dichloro-1-methyl-2-prop-1-en-2-ylbenzimidazole
CID 66969095
3-(5,6-dichloro-2-pyridin-4-ylbenzimidazol-1-yl)propanenitrile
CID 94749240
2-(6-chloro-1-methylbenzimidazol-2-yl)sulfanylacetic acid
CID 115470221
2-[1-(3-chloro-4-methylphenyl)imidazol-2-yl]sulfanylacetonitrile
CID 82133525

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dichloro-1-methylbenzimidazol-2-yl)sulfanylacetonitrile?
The IUPAC name of 2-(5,6-dichloro-1-methylbenzimidazol-2-yl)sulfanylacetonitrile (CID 84617099) is 2-(5,6-dichloro-1-methylbenzimidazol-2-yl)sulfanylacetonitrile.
What is the SMILES notation for 2-(5,6-dichloro-1-methylbenzimidazol-2-yl)sulfanylacetonitrile?
The canonical SMILES for 2-(5,6-dichloro-1-methylbenzimidazol-2-yl)sulfanylacetonitrile is Cn1c(SCC#N)nc2cc(Cl)c(Cl)cc21.
What is the InChIKey of 2-(5,6-dichloro-1-methylbenzimidazol-2-yl)sulfanylacetonitrile?
The InChIKey is ISQUMEPXGDEHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3S/c1-15-9-5-7(12)6(11)4-8(9)14-10(15)16-3-2-13/h4-5H,3H2,1H3.
What are the key properties of 2-(5,6-dichloro-1-methylbenzimidazol-2-yl)sulfanylacetonitrile?
2-(5,6-dichloro-1-methylbenzimidazol-2-yl)sulfanylacetonitrile has a molecular weight of 272.16 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dichloro-1-methylbenzimidazol-2-yl)sulfanylacetonitrile is sourced from PubChem (CID 84617099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).