2-[4-methyl-6-(1-methylbenzimidazol-5-yl)pyrimidin-2-yl]acetonitrile

C15H13N5 — CID 116895055

IUPAC2-[4-methyl-6-(1-methylbenzimidazol-5-yl)pyrimidin-2-yl]acetonitrile
SMILESCc1cc(-c2ccc3c(c2)ncn3C)nc(CC#N)n1
InChIInChI=1S/C15H13N5/c1-10-7-12(19-15(18-10)5-6-16)11-3-4-14-13(8-11)17-9-20(14)2/h3-4,7-9H,5H2,1-2H3
InChIKeyVJGPQKGBFXBEDG-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.40
Rot. Bonds2

About 2-[4-methyl-6-(1-methylbenzimidazol-5-yl)pyrimidin-2-yl]acetonitrile

2-[4-methyl-6-(1-methylbenzimidazol-5-yl)pyrimidin-2-yl]acetonitrile (PubChem CID 116895055) has the molecular formula C15H13N5 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[4-methyl-6-(1-methylbenzimidazol-5-yl)pyrimidin-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-methyl-6-(1-methylbenzimidazol-5-yl)pyrimidin-2-yl]acetonitrile
PubChem CID116895055
Molecular FormulaC15H13N5
Molecular Weight263.30 g/mol
Exact Mass263.12
IUPAC Name2-[4-methyl-6-(1-methylbenzimidazol-5-yl)pyrimidin-2-yl]acetonitrile
SMILESCc1cc(-c2ccc3c(c2)ncn3C)nc(CC#N)n1
InChIInChI=1S/C15H13N5/c1-10-7-12(19-15(18-10)5-6-16)11-3-4-14-13(8-11)17-9-20(14)2/h3-4,7-9H,5H2,1-2H3
InChIKeyVJGPQKGBFXBEDG-UHFFFAOYSA-N
XLogP2.40
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-6-(1-methylbenzimidazol-5-yl)pyrimidin-2-yl]acetonitrile?
The IUPAC name of 2-[4-methyl-6-(1-methylbenzimidazol-5-yl)pyrimidin-2-yl]acetonitrile (CID 116895055) is 2-[4-methyl-6-(1-methylbenzimidazol-5-yl)pyrimidin-2-yl]acetonitrile.
What is the SMILES notation for 2-[4-methyl-6-(1-methylbenzimidazol-5-yl)pyrimidin-2-yl]acetonitrile?
The canonical SMILES for 2-[4-methyl-6-(1-methylbenzimidazol-5-yl)pyrimidin-2-yl]acetonitrile is Cc1cc(-c2ccc3c(c2)ncn3C)nc(CC#N)n1.
What is the InChIKey of 2-[4-methyl-6-(1-methylbenzimidazol-5-yl)pyrimidin-2-yl]acetonitrile?
The InChIKey is VJGPQKGBFXBEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5/c1-10-7-12(19-15(18-10)5-6-16)11-3-4-14-13(8-11)17-9-20(14)2/h3-4,7-9H,5H2,1-2H3.
What are the key properties of 2-[4-methyl-6-(1-methylbenzimidazol-5-yl)pyrimidin-2-yl]acetonitrile?
2-[4-methyl-6-(1-methylbenzimidazol-5-yl)pyrimidin-2-yl]acetonitrile has a molecular weight of 263.30 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-6-(1-methylbenzimidazol-5-yl)pyrimidin-2-yl]acetonitrile is sourced from PubChem (CID 116895055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).