3-(5,6-dichloro-2-ethylbenzimidazol-1-yl)-2-methylpropanenitrile

C13H13Cl2N3 — CID 82145975

IUPAC3-(5,6-dichloro-2-ethylbenzimidazol-1-yl)-2-methylpropanenitrile
SMILESCCc1nc2cc(Cl)c(Cl)cc2n1CC(C)C#N
InChIInChI=1S/C13H13Cl2N3/c1-3-13-17-11-4-9(14)10(15)5-12(11)18(13)7-8(2)6-16/h4-5,8H,3,7H2,1-2H3
InChIKeyVQJMMEMISKPRMH-UHFFFAOYSA-N
MW282.17 g/mol
LogP4.07
Rot. Bonds3

About 3-(5,6-dichloro-2-ethylbenzimidazol-1-yl)-2-methylpropanenitrile

3-(5,6-dichloro-2-ethylbenzimidazol-1-yl)-2-methylpropanenitrile (PubChem CID 82145975) has the molecular formula C13H13Cl2N3 and a molecular weight of 282.17 g/mol. Its IUPAC name is 3-(5,6-dichloro-2-ethylbenzimidazol-1-yl)-2-methylpropanenitrile.

Molecular Properties

Compound Name3-(5,6-dichloro-2-ethylbenzimidazol-1-yl)-2-methylpropanenitrile
PubChem CID82145975
Molecular FormulaC13H13Cl2N3
Molecular Weight282.17 g/mol
Exact Mass281.05
IUPAC Name3-(5,6-dichloro-2-ethylbenzimidazol-1-yl)-2-methylpropanenitrile
SMILESCCc1nc2cc(Cl)c(Cl)cc2n1CC(C)C#N
InChIInChI=1S/C13H13Cl2N3/c1-3-13-17-11-4-9(14)10(15)5-12(11)18(13)7-8(2)6-16/h4-5,8H,3,7H2,1-2H3
InChIKeyVQJMMEMISKPRMH-UHFFFAOYSA-N
XLogP4.07
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5,6-dichloro-2-methylbenzimidazol-1-yl)-2-methylpropanenitrile
CID 82145962
3-[4-(5,6-dichloro-2-ethylbenzimidazol-1-yl)phenyl]-2-methylpropanenitrile
CID 141052723
4-[(5,6-dichloro-2-ethylbenzimidazol-1-yl)methyl]benzonitrile
CID 39158119
2-methyl-3-(2-propyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propanenitrile
CID 82145820
4-(2-butyl-5,6-dichlorobenzimidazol-1-yl)butanenitrile
CID 94757417
3-(5,6-dichloro-2-propan-2-ylbenzimidazol-1-yl)propanenitrile
CID 82146003
3-(2-ethyl-5,6-difluorobenzimidazol-1-yl)propanenitrile
CID 82146074
3-[5,6-difluoro-2-[(E)-2-phenylethenyl]benzimidazol-1-yl]-2-methylpropanenitrile
CID 82146302
2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetonitrile
CID 39157826
4-[(5,6-dichloro-2-propan-2-ylbenzimidazol-1-yl)methyl]benzonitrile
CID 39158131
5,6-dichloro-1-ethyl-N-propan-2-ylbenzimidazol-2-amine
CID 137411124
3-(5,6-dimethyl-2-thiophen-2-ylbenzimidazol-1-yl)-2-methylpropanenitrile
CID 82145169

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dichloro-2-ethylbenzimidazol-1-yl)-2-methylpropanenitrile?
The IUPAC name of 3-(5,6-dichloro-2-ethylbenzimidazol-1-yl)-2-methylpropanenitrile (CID 82145975) is 3-(5,6-dichloro-2-ethylbenzimidazol-1-yl)-2-methylpropanenitrile.
What is the SMILES notation for 3-(5,6-dichloro-2-ethylbenzimidazol-1-yl)-2-methylpropanenitrile?
The canonical SMILES for 3-(5,6-dichloro-2-ethylbenzimidazol-1-yl)-2-methylpropanenitrile is CCc1nc2cc(Cl)c(Cl)cc2n1CC(C)C#N.
What is the InChIKey of 3-(5,6-dichloro-2-ethylbenzimidazol-1-yl)-2-methylpropanenitrile?
The InChIKey is VQJMMEMISKPRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3/c1-3-13-17-11-4-9(14)10(15)5-12(11)18(13)7-8(2)6-16/h4-5,8H,3,7H2,1-2H3.
What are the key properties of 3-(5,6-dichloro-2-ethylbenzimidazol-1-yl)-2-methylpropanenitrile?
3-(5,6-dichloro-2-ethylbenzimidazol-1-yl)-2-methylpropanenitrile has a molecular weight of 282.17 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dichloro-2-ethylbenzimidazol-1-yl)-2-methylpropanenitrile is sourced from PubChem (CID 82145975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).