2-[1-(3-methylpyrazin-2-yl)benzimidazol-2-yl]acetonitrile

C14H11N5 — CID 83062998

IUPAC2-[1-(3-methylpyrazin-2-yl)benzimidazol-2-yl]acetonitrile
SMILESCc1nccnc1-n1c(CC#N)nc2ccccc21
InChIInChI=1S/C14H11N5/c1-10-14(17-9-8-16-10)19-12-5-3-2-4-11(12)18-13(19)6-7-15/h2-5,8-9H,6H2,1H3
InChIKeyWJTSKZLVYZALRW-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.19
Rot. Bonds2

About 2-[1-(3-methylpyrazin-2-yl)benzimidazol-2-yl]acetonitrile

2-[1-(3-methylpyrazin-2-yl)benzimidazol-2-yl]acetonitrile (PubChem CID 83062998) has the molecular formula C14H11N5 and a molecular weight of 249.28 g/mol. Its IUPAC name is 2-[1-(3-methylpyrazin-2-yl)benzimidazol-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-(3-methylpyrazin-2-yl)benzimidazol-2-yl]acetonitrile
PubChem CID83062998
Molecular FormulaC14H11N5
Molecular Weight249.28 g/mol
Exact Mass249.10
IUPAC Name2-[1-(3-methylpyrazin-2-yl)benzimidazol-2-yl]acetonitrile
SMILESCc1nccnc1-n1c(CC#N)nc2ccccc21
InChIInChI=1S/C14H11N5/c1-10-14(17-9-8-16-10)19-12-5-3-2-4-11(12)18-13(19)6-7-15/h2-5,8-9H,6H2,1H3
InChIKeyWJTSKZLVYZALRW-UHFFFAOYSA-N
XLogP2.19
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[5-(aminomethyl)-3-methyl-2-pyridinyl]benzimidazol-2-yl]acetonitrile
CID 80639228
2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)benzimidazol-2-yl]acetonitrile
CID 65208570
2-[2-(cyanomethyl)benzimidazol-1-yl]-3-methylbenzonitrile
CID 107107391
2-[1-[4-(aminomethyl)-3-methylphenyl]benzimidazol-2-yl]acetonitrile
CID 63640861
2-(1-propan-2-ylbenzimidazol-2-yl)acetonitrile
CID 55247145
2-[1-(4-aminophenyl)benzimidazol-2-yl]acetonitrile
CID 63641531
2-[1-(5-bromo-4-methoxypyrimidin-2-yl)benzimidazol-2-yl]acetonitrile
CID 106999135
2-[1-(6-propylpyrimidin-4-yl)benzimidazol-2-yl]acetonitrile
CID 63637394
2-(1-but-2-ynylbenzimidazol-2-yl)acetonitrile
CID 63637903
2-[1-(2-amino-3-fluorophenyl)benzimidazol-2-yl]acetonitrile
CID 63638967
3-amino-6-[2-(cyanomethyl)benzimidazol-1-yl]pyridine-2-carbonitrile
CID 103469387
2-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]acetonitrile
CID 55246838

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylpyrazin-2-yl)benzimidazol-2-yl]acetonitrile?
The IUPAC name of 2-[1-(3-methylpyrazin-2-yl)benzimidazol-2-yl]acetonitrile (CID 83062998) is 2-[1-(3-methylpyrazin-2-yl)benzimidazol-2-yl]acetonitrile.
What is the SMILES notation for 2-[1-(3-methylpyrazin-2-yl)benzimidazol-2-yl]acetonitrile?
The canonical SMILES for 2-[1-(3-methylpyrazin-2-yl)benzimidazol-2-yl]acetonitrile is Cc1nccnc1-n1c(CC#N)nc2ccccc21.
What is the InChIKey of 2-[1-(3-methylpyrazin-2-yl)benzimidazol-2-yl]acetonitrile?
The InChIKey is WJTSKZLVYZALRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5/c1-10-14(17-9-8-16-10)19-12-5-3-2-4-11(12)18-13(19)6-7-15/h2-5,8-9H,6H2,1H3.
What are the key properties of 2-[1-(3-methylpyrazin-2-yl)benzimidazol-2-yl]acetonitrile?
2-[1-(3-methylpyrazin-2-yl)benzimidazol-2-yl]acetonitrile has a molecular weight of 249.28 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylpyrazin-2-yl)benzimidazol-2-yl]acetonitrile is sourced from PubChem (CID 83062998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).