3-methyl-2-piperidin-2-ylbenzimidazole-5-carbonitrile

C14H16N4 — CID 84629728

IUPAC3-methyl-2-piperidin-2-ylbenzimidazole-5-carbonitrile
SMILESCn1c(C2CCCCN2)nc2ccc(C#N)cc21
InChIInChI=1S/C14H16N4/c1-18-13-8-10(9-15)5-6-11(13)17-14(18)12-4-2-3-7-16-12/h5-6,8,12,16H,2-4,7H2,1H3
InChIKeyRAHMVJKJYNVJCR-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.26
Rot. Bonds1

About 3-methyl-2-piperidin-2-ylbenzimidazole-5-carbonitrile

3-methyl-2-piperidin-2-ylbenzimidazole-5-carbonitrile (PubChem CID 84629728) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-methyl-2-piperidin-2-ylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name3-methyl-2-piperidin-2-ylbenzimidazole-5-carbonitrile
PubChem CID84629728
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name3-methyl-2-piperidin-2-ylbenzimidazole-5-carbonitrile
SMILESCn1c(C2CCCCN2)nc2ccc(C#N)cc21
InChIInChI=1S/C14H16N4/c1-18-13-8-10(9-15)5-6-11(13)17-14(18)12-4-2-3-7-16-12/h5-6,8,12,16H,2-4,7H2,1H3
InChIKeyRAHMVJKJYNVJCR-UHFFFAOYSA-N
XLogP2.26
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,6-dimethyl-2-piperidin-2-ylbenzimidazole
CID 83857900
6-tert-butyl-1-methyl-2-pyrrolidin-2-ylbenzimidazole
CID 84636801
3-methyl-2-(thiolan-2-yl)benzimidazole-5-carbonitrile
CID 104712309
3-methyl-2-(oxan-3-yl)benzimidazole-5-carbonitrile
CID 113444337
2-(4,4-difluorocyclohexyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712275
5-fluoro-1-methyl-2-[(2S)-pyrrolidin-2-yl]benzimidazole
CID 83857852
2-(cyclopropylmethyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712508
1,5,7-trimethyl-2-piperidin-2-ylbenzimidazole
CID 84631010
2-(azocan-2-yl)-1-methylimidazo[4,5-b]pyridine
CID 114239785
3-methyl-2-[2-(oxan-2-yl)ethyl]benzimidazole-5-carbonitrile
CID 104712752
3-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole-5-carbonitrile
CID 84629732
3-methyl-2-[2-(oxolan-2-yl)ethyl]benzimidazole-5-carbonitrile
CID 104712445

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-piperidin-2-ylbenzimidazole-5-carbonitrile?
The IUPAC name of 3-methyl-2-piperidin-2-ylbenzimidazole-5-carbonitrile (CID 84629728) is 3-methyl-2-piperidin-2-ylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 3-methyl-2-piperidin-2-ylbenzimidazole-5-carbonitrile?
The canonical SMILES for 3-methyl-2-piperidin-2-ylbenzimidazole-5-carbonitrile is Cn1c(C2CCCCN2)nc2ccc(C#N)cc21.
What is the InChIKey of 3-methyl-2-piperidin-2-ylbenzimidazole-5-carbonitrile?
The InChIKey is RAHMVJKJYNVJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-18-13-8-10(9-15)5-6-11(13)17-14(18)12-4-2-3-7-16-12/h5-6,8,12,16H,2-4,7H2,1H3.
What are the key properties of 3-methyl-2-piperidin-2-ylbenzimidazole-5-carbonitrile?
3-methyl-2-piperidin-2-ylbenzimidazole-5-carbonitrile has a molecular weight of 240.31 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-piperidin-2-ylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 84629728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).