6-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]pyridine-3-carbonitrile

C17H16N6 — CID 166189625

IUPAC6-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN(c3nc4ccccc4[nH]3)CC2)nc1
InChIInChI=1S/C17H16N6/c18-11-13-5-6-16(19-12-13)22-7-9-23(10-8-22)17-20-14-3-1-2-4-15(14)21-17/h1-6,12H,7-10H2,(H,20,21)
InChIKeyATIHABDLDSAHHR-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.16
Rot. Bonds2

About 6-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]pyridine-3-carbonitrile

6-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 166189625) has the molecular formula C17H16N6 and a molecular weight of 304.36 g/mol. Its IUPAC name is 6-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID166189625
Molecular FormulaC17H16N6
Molecular Weight304.36 g/mol
Exact Mass304.14
IUPAC Name6-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN(c3nc4ccccc4[nH]3)CC2)nc1
InChIInChI=1S/C17H16N6/c18-11-13-5-6-16(19-12-13)22-7-9-23(10-8-22)17-20-14-3-1-2-4-15(14)21-17/h1-6,12H,7-10H2,(H,20,21)
InChIKeyATIHABDLDSAHHR-UHFFFAOYSA-N
XLogP2.16
TPSA71.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(quinolin-2-ylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 133286840
6-[3-(1H-benzimidazol-2-ylmethoxy)-4-fluoropyrrolidin-1-yl]pyridine-3-carbonitrile
CID 162798316
bis(2-(4-ethylpiperazin-1-yl)-1H-benzimidazole);hydrate;tetrahydrochloride
CID 67157381
2-[4-(2-chloroethyl)piperazin-1-yl]-1H-benzimidazole
CID 63392230
6-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]pyridine-2-carboxylic acid
CID 122047879
6-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile
CID 2746542
2-(4-methyl-1,4-diazepan-1-yl)-1H-benzimidazole
CID 10704647
1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]ethanone
CID 110376496
6-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-N-(cyclopropylmethyl)pyrimidin-4-amine
CID 75433494
6-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]tetrazolo[1,5-b]pyridazine
CID 75419874
6-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 133271157
6-(4-piperidin-4-yloxypiperidin-1-yl)pyridine-3-carbonitrile
CID 69354590

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]pyridine-3-carbonitrile (CID 166189625) is 6-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCN(c3nc4ccccc4[nH]3)CC2)nc1.
What is the InChIKey of 6-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is ATIHABDLDSAHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6/c18-11-13-5-6-16(19-12-13)22-7-9-23(10-8-22)17-20-14-3-1-2-4-15(14)21-17/h1-6,12H,7-10H2,(H,20,21).
What are the key properties of 6-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]pyridine-3-carbonitrile?
6-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 304.36 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 166189625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).