2-[4-(2-oxo-3-propylbenzimidazol-1-yl)piperazin-1-yl]pyridine-4-carbonitrile

C20H22N6O — CID 67576302

IUPAC2-[4-(2-oxo-3-propylbenzimidazol-1-yl)piperazin-1-yl]pyridine-4-carbonitrile
SMILESCCCn1c(=O)n(N2CCN(c3cc(C#N)ccn3)CC2)c2ccccc21
InChIInChI=1S/C20H22N6O/c1-2-9-25-17-5-3-4-6-18(17)26(20(25)27)24-12-10-23(11-13-24)19-14-16(15-21)7-8-22-19/h3-8,14H,2,9-13H2,1H3
InChIKeyKQOTUZUTNWXOSH-UHFFFAOYSA-N
MW362.44 g/mol
LogP1.94
Rot. Bonds4

About 2-[4-(2-oxo-3-propylbenzimidazol-1-yl)piperazin-1-yl]pyridine-4-carbonitrile

2-[4-(2-oxo-3-propylbenzimidazol-1-yl)piperazin-1-yl]pyridine-4-carbonitrile (PubChem CID 67576302) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 2-[4-(2-oxo-3-propylbenzimidazol-1-yl)piperazin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-(2-oxo-3-propylbenzimidazol-1-yl)piperazin-1-yl]pyridine-4-carbonitrile
PubChem CID67576302
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name2-[4-(2-oxo-3-propylbenzimidazol-1-yl)piperazin-1-yl]pyridine-4-carbonitrile
SMILESCCCn1c(=O)n(N2CCN(c3cc(C#N)ccn3)CC2)c2ccccc21
InChIInChI=1S/C20H22N6O/c1-2-9-25-17-5-3-4-6-18(17)26(20(25)27)24-12-10-23(11-13-24)19-14-16(15-21)7-8-22-19/h3-8,14H,2,9-13H2,1H3
InChIKeyKQOTUZUTNWXOSH-UHFFFAOYSA-N
XLogP1.94
TPSA70.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[3-methyl-7-[(3R)-3-(methylamino)piperidin-1-yl]-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile
CID 53311222
2-[[7-[(3R)-3-aminopiperidin-1-yl]-2-oxo-3-propan-2-ylimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile
CID 53311226
2-[[7-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile
CID 53311227
2H-Benzimidazol-2-one, 1,3-dihydro-1-methyl-3-(2-pyridinyl)-
CID 3021477
N-methyl-N-(4-methylphenyl)-4-(pyridin-2-yl)piperazine-1-carboxamide
CID 976952
1-Ethyl-3-[5-(2-pyridin-3-ylethynyl)-2-pyridinyl]-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-one
CID 58464049
1-Methyl-3-[5-(2-pyridin-3-ylethynyl)-2-pyridinyl]-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-one
CID 58464093
2H-Benzimidazol-2-one, 1,3-dihydro-1-ethyl-3-(2-pyridinyl)-
CID 3021478
2-[(1,3-Dimethyl-2-oxidanylidene-benzimidazol-5-yl)amino]pyridine-3-carbonitrile
CID 72105690
1-(2,3-Dihydroindol-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 4065564
5-(1-Benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)-3-(trifluoromethyl)pyridine-2-carbonitrile
CID 70687352
4-(5-cyano-2-pyridinyl)-N-phenylpiperazine-1-carboxamide
CID 2746537

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-oxo-3-propylbenzimidazol-1-yl)piperazin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[4-(2-oxo-3-propylbenzimidazol-1-yl)piperazin-1-yl]pyridine-4-carbonitrile (CID 67576302) is 2-[4-(2-oxo-3-propylbenzimidazol-1-yl)piperazin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-(2-oxo-3-propylbenzimidazol-1-yl)piperazin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-(2-oxo-3-propylbenzimidazol-1-yl)piperazin-1-yl]pyridine-4-carbonitrile is CCCn1c(=O)n(N2CCN(c3cc(C#N)ccn3)CC2)c2ccccc21.
What is the InChIKey of 2-[4-(2-oxo-3-propylbenzimidazol-1-yl)piperazin-1-yl]pyridine-4-carbonitrile?
The InChIKey is KQOTUZUTNWXOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-2-9-25-17-5-3-4-6-18(17)26(20(25)27)24-12-10-23(11-13-24)19-14-16(15-21)7-8-22-19/h3-8,14H,2,9-13H2,1H3.
What are the key properties of 2-[4-(2-oxo-3-propylbenzimidazol-1-yl)piperazin-1-yl]pyridine-4-carbonitrile?
2-[4-(2-oxo-3-propylbenzimidazol-1-yl)piperazin-1-yl]pyridine-4-carbonitrile has a molecular weight of 362.44 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-oxo-3-propylbenzimidazol-1-yl)piperazin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 67576302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).