5-[(1,2-dimethylbenzimidazol-5-yl)amino]pyrazine-2-carbonitrile

C14H12N6 — CID 133484842

IUPAC5-[(1,2-dimethylbenzimidazol-5-yl)amino]pyrazine-2-carbonitrile
SMILESCc1nc2cc(Nc3cnc(C#N)cn3)ccc2n1C
InChIInChI=1S/C14H12N6/c1-9-18-12-5-10(3-4-13(12)20(9)2)19-14-8-16-11(6-15)7-17-14/h3-5,7-8H,1-2H3,(H,17,19)
InChIKeyXFMUOMLJSNCJNY-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.29
Rot. Bonds2

About 5-[(1,2-dimethylbenzimidazol-5-yl)amino]pyrazine-2-carbonitrile

5-[(1,2-dimethylbenzimidazol-5-yl)amino]pyrazine-2-carbonitrile (PubChem CID 133484842) has the molecular formula C14H12N6 and a molecular weight of 264.29 g/mol. Its IUPAC name is 5-[(1,2-dimethylbenzimidazol-5-yl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[(1,2-dimethylbenzimidazol-5-yl)amino]pyrazine-2-carbonitrile
PubChem CID133484842
Molecular FormulaC14H12N6
Molecular Weight264.29 g/mol
Exact Mass264.11
IUPAC Name5-[(1,2-dimethylbenzimidazol-5-yl)amino]pyrazine-2-carbonitrile
SMILESCc1nc2cc(Nc3cnc(C#N)cn3)ccc2n1C
InChIInChI=1S/C14H12N6/c1-9-18-12-5-10(3-4-13(12)20(9)2)19-14-8-16-11(6-15)7-17-14/h3-5,7-8H,1-2H3,(H,17,19)
InChIKeyXFMUOMLJSNCJNY-UHFFFAOYSA-N
XLogP2.29
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3,5-dimethylanilino)pyrazine-2-carbonitrile
CID 63658538
5-(1,3-benzothiazol-5-ylamino)pyrazine-2-carbonitrile
CID 100621011
N-(chloromethyl)-1,2-dimethylbenzimidazol-5-amine
CID 115262747
6-[(2-methyl-1-phenylbenzimidazol-5-yl)amino]pyridine-3-carbonitrile
CID 18276652
5-[(2-tert-butyl-1,3-benzothiazol-6-yl)amino]pyrazine-2-carbonitrile
CID 133484499
5-(3-fluoro-5-methylanilino)pyrazine-2-carbonitrile
CID 79049483
2-methyl-6-[(1-phenylbenzimidazol-5-yl)amino]pyrimidine-4-carbonitrile
CID 154795798
2-cyano-N-(1,2-dimethylbenzimidazol-5-yl)acetamide
CID 115172919
5-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carbonitrile
CID 79770667
3-(1,2-dimethylbenzimidazol-5-yl)-1,1-dimethylurea
CID 110869161
N-(1,2-dimethylbenzimidazol-5-yl)-6-methylquinazolin-4-amine
CID 133428184
N-(1,2-dimethylbenzimidazol-5-yl)-6-fluoroquinazolin-4-amine
CID 133428185

Frequently Asked Questions

What is the IUPAC name of 5-[(1,2-dimethylbenzimidazol-5-yl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[(1,2-dimethylbenzimidazol-5-yl)amino]pyrazine-2-carbonitrile (CID 133484842) is 5-[(1,2-dimethylbenzimidazol-5-yl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[(1,2-dimethylbenzimidazol-5-yl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[(1,2-dimethylbenzimidazol-5-yl)amino]pyrazine-2-carbonitrile is Cc1nc2cc(Nc3cnc(C#N)cn3)ccc2n1C.
What is the InChIKey of 5-[(1,2-dimethylbenzimidazol-5-yl)amino]pyrazine-2-carbonitrile?
The InChIKey is XFMUOMLJSNCJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6/c1-9-18-12-5-10(3-4-13(12)20(9)2)19-14-8-16-11(6-15)7-17-14/h3-5,7-8H,1-2H3,(H,17,19).
What are the key properties of 5-[(1,2-dimethylbenzimidazol-5-yl)amino]pyrazine-2-carbonitrile?
5-[(1,2-dimethylbenzimidazol-5-yl)amino]pyrazine-2-carbonitrile has a molecular weight of 264.29 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,2-dimethylbenzimidazol-5-yl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133484842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).