1-(4-cyclohexylpiperazin-1-yl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile

C23H27N5 — CID 984666

IUPAC1-(4-cyclohexylpiperazin-1-yl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCc1cc(N2CCN(C3CCCCC3)CC2)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C23H27N5/c1-17-15-22(27-13-11-26(12-14-27)18-7-3-2-4-8-18)28-21-10-6-5-9-20(21)25-23(28)19(17)16-24/h5-6,9-10,15,18H,2-4,7-8,11-14H2,1H3
InChIKeyJFCYTEJGCKVSJH-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.12
Rot. Bonds2

About 1-(4-cyclohexylpiperazin-1-yl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile

1-(4-cyclohexylpiperazin-1-yl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile (PubChem CID 984666) has the molecular formula C23H27N5 and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-(4-cyclohexylpiperazin-1-yl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name1-(4-cyclohexylpiperazin-1-yl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
PubChem CID984666
Molecular FormulaC23H27N5
Molecular Weight373.50 g/mol
Exact Mass373.23
IUPAC Name1-(4-cyclohexylpiperazin-1-yl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCc1cc(N2CCN(C3CCCCC3)CC2)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C23H27N5/c1-17-15-22(27-13-11-26(12-14-27)18-7-3-2-4-8-18)28-21-10-6-5-9-20(21)25-23(28)19(17)16-24/h5-6,9-10,15,18H,2-4,7-8,11-14H2,1H3
InChIKeyJFCYTEJGCKVSJH-UHFFFAOYSA-N
XLogP4.12
TPSA47.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylpiperazin-1-yl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The IUPAC name of 1-(4-cyclohexylpiperazin-1-yl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile (CID 984666) is 1-(4-cyclohexylpiperazin-1-yl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile.
What is the SMILES notation for 1-(4-cyclohexylpiperazin-1-yl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The canonical SMILES for 1-(4-cyclohexylpiperazin-1-yl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile is Cc1cc(N2CCN(C3CCCCC3)CC2)n2c(nc3ccccc32)c1C#N.
What is the InChIKey of 1-(4-cyclohexylpiperazin-1-yl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The InChIKey is JFCYTEJGCKVSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5/c1-17-15-22(27-13-11-26(12-14-27)18-7-3-2-4-8-18)28-21-10-6-5-9-20(21)25-23(28)19(17)16-24/h5-6,9-10,15,18H,2-4,7-8,11-14H2,1H3.
What are the key properties of 1-(4-cyclohexylpiperazin-1-yl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
1-(4-cyclohexylpiperazin-1-yl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile has a molecular weight of 373.50 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylpiperazin-1-yl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile is sourced from PubChem (CID 984666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).