3-methyl-1-(4-phenylpiperazin-1-yl)-2-propylpyrido[1,2-a]benzimidazole-4-carbonitrile

C26H27N5 — CID 3803898

IUPAC3-methyl-1-(4-phenylpiperazin-1-yl)-2-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H27N5/c1-3-9-21-19(2)22(18-27)25-28-23-12-7-8-13-24(23)31(25)26(21)30-16-14-29(15-17-30)20-10-5-4-6-11-20/h4-8,10-13H,3,9,14-17H2,1-2H3
InChIKeyHTVAYUKFHINZEF-UHFFFAOYSA-N
MW409.54 g/mol
LogP4.95
Rot. Bonds4

About 3-methyl-1-(4-phenylpiperazin-1-yl)-2-propylpyrido[1,2-a]benzimidazole-4-carbonitrile

3-methyl-1-(4-phenylpiperazin-1-yl)-2-propylpyrido[1,2-a]benzimidazole-4-carbonitrile (PubChem CID 3803898) has the molecular formula C26H27N5 and a molecular weight of 409.54 g/mol. Its IUPAC name is 3-methyl-1-(4-phenylpiperazin-1-yl)-2-propylpyrido[1,2-a]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name3-methyl-1-(4-phenylpiperazin-1-yl)-2-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
PubChem CID3803898
Molecular FormulaC26H27N5
Molecular Weight409.54 g/mol
Exact Mass409.23
IUPAC Name3-methyl-1-(4-phenylpiperazin-1-yl)-2-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H27N5/c1-3-9-21-19(2)22(18-27)25-28-23-12-7-8-13-24(23)31(25)26(21)30-16-14-29(15-17-30)20-10-5-4-6-11-20/h4-8,10-13H,3,9,14-17H2,1-2H3
InChIKeyHTVAYUKFHINZEF-UHFFFAOYSA-N
XLogP4.95
TPSA47.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.54
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-phenylpiperazin-1-yl)-2-propylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The IUPAC name of 3-methyl-1-(4-phenylpiperazin-1-yl)-2-propylpyrido[1,2-a]benzimidazole-4-carbonitrile (CID 3803898) is 3-methyl-1-(4-phenylpiperazin-1-yl)-2-propylpyrido[1,2-a]benzimidazole-4-carbonitrile.
What is the SMILES notation for 3-methyl-1-(4-phenylpiperazin-1-yl)-2-propylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The canonical SMILES for 3-methyl-1-(4-phenylpiperazin-1-yl)-2-propylpyrido[1,2-a]benzimidazole-4-carbonitrile is CCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(c2ccccc2)CC1.
What is the InChIKey of 3-methyl-1-(4-phenylpiperazin-1-yl)-2-propylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The InChIKey is HTVAYUKFHINZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5/c1-3-9-21-19(2)22(18-27)25-28-23-12-7-8-13-24(23)31(25)26(21)30-16-14-29(15-17-30)20-10-5-4-6-11-20/h4-8,10-13H,3,9,14-17H2,1-2H3.
What are the key properties of 3-methyl-1-(4-phenylpiperazin-1-yl)-2-propylpyrido[1,2-a]benzimidazole-4-carbonitrile?
3-methyl-1-(4-phenylpiperazin-1-yl)-2-propylpyrido[1,2-a]benzimidazole-4-carbonitrile has a molecular weight of 409.54 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-phenylpiperazin-1-yl)-2-propylpyrido[1,2-a]benzimidazole-4-carbonitrile is sourced from PubChem (CID 3803898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).