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

C12H11Cl2N3 — CID 82145962

IUPAC3-(5,6-dichloro-2-methylbenzimidazol-1-yl)-2-methylpropanenitrile
SMILESCc1nc2cc(Cl)c(Cl)cc2n1CC(C)C#N
InChIInChI=1S/C12H11Cl2N3/c1-7(5-15)6-17-8(2)16-11-3-9(13)10(14)4-12(11)17/h3-4,7H,6H2,1-2H3
InChIKeyPJGITHBKVPLQFX-UHFFFAOYSA-N
MW268.15 g/mol
LogP3.81
Rot. Bonds2

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

3-(5,6-dichloro-2-methylbenzimidazol-1-yl)-2-methylpropanenitrile (PubChem CID 82145962) has the molecular formula C12H11Cl2N3 and a molecular weight of 268.15 g/mol. Its IUPAC name is 3-(5,6-dichloro-2-methylbenzimidazol-1-yl)-2-methylpropanenitrile.

Molecular Properties

Compound Name3-(5,6-dichloro-2-methylbenzimidazol-1-yl)-2-methylpropanenitrile
PubChem CID82145962
Molecular FormulaC12H11Cl2N3
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name3-(5,6-dichloro-2-methylbenzimidazol-1-yl)-2-methylpropanenitrile
SMILESCc1nc2cc(Cl)c(Cl)cc2n1CC(C)C#N
InChIInChI=1S/C12H11Cl2N3/c1-7(5-15)6-17-8(2)16-11-3-9(13)10(14)4-12(11)17/h3-4,7H,6H2,1-2H3
InChIKeyPJGITHBKVPLQFX-UHFFFAOYSA-N
XLogP3.81
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5,6-dichloro-2-ethylbenzimidazol-1-yl)-2-methylpropanenitrile
CID 82145975
5,6-dichloro-1-[4-(5,6-dichloro-2-methylbenzimidazol-1-yl)butyl]-2-methylbenzimidazole
CID 91737844
3-(5,6-dichloro-2-propan-2-ylbenzimidazol-1-yl)propanenitrile
CID 82146003
3-[2-(2-chlorophenyl)benzimidazol-1-yl]-2-methylpropanenitrile
CID 82144793
4-[(5,6-dichloro-2-methylbenzimidazol-1-yl)methyl]aniline
CID 94756819
3-[4-(5,6-dichloro-2-ethylbenzimidazol-1-yl)phenyl]-2-methylpropanenitrile
CID 141052723
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
3-[2-(3-chlorophenyl)benzimidazol-1-yl]-2-methylpropanenitrile
CID 82144799
2-methyl-3-(2-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propanenitrile
CID 82145842
6-chloro-2,3-dimethylbenzimidazole-5-carbonitrile
CID 171820077

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dichloro-2-methylbenzimidazol-1-yl)-2-methylpropanenitrile?
The IUPAC name of 3-(5,6-dichloro-2-methylbenzimidazol-1-yl)-2-methylpropanenitrile (CID 82145962) is 3-(5,6-dichloro-2-methylbenzimidazol-1-yl)-2-methylpropanenitrile.
What is the SMILES notation for 3-(5,6-dichloro-2-methylbenzimidazol-1-yl)-2-methylpropanenitrile?
The canonical SMILES for 3-(5,6-dichloro-2-methylbenzimidazol-1-yl)-2-methylpropanenitrile is Cc1nc2cc(Cl)c(Cl)cc2n1CC(C)C#N.
What is the InChIKey of 3-(5,6-dichloro-2-methylbenzimidazol-1-yl)-2-methylpropanenitrile?
The InChIKey is PJGITHBKVPLQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3/c1-7(5-15)6-17-8(2)16-11-3-9(13)10(14)4-12(11)17/h3-4,7H,6H2,1-2H3.
What are the key properties of 3-(5,6-dichloro-2-methylbenzimidazol-1-yl)-2-methylpropanenitrile?
3-(5,6-dichloro-2-methylbenzimidazol-1-yl)-2-methylpropanenitrile has a molecular weight of 268.15 g/mol, XLogP of 3.81, 2 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-methylbenzimidazol-1-yl)-2-methylpropanenitrile is sourced from PubChem (CID 82145962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).