1-(cyclopentylamino)-3-propan-2-ylpyrido[1,2-a]benzimidazole-4-carbonitrile

C20H22N4 — CID 935605

IUPAC1-(cyclopentylamino)-3-propan-2-ylpyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCC(C)c1cc(NC2CCCC2)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C20H22N4/c1-13(2)15-11-19(22-14-7-3-4-8-14)24-18-10-6-5-9-17(18)23-20(24)16(15)12-21/h5-6,9-11,13-14,22H,3-4,7-8H2,1-2H3
InChIKeyGXCQILFRWOPLSP-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.84
Rot. Bonds3

About 1-(cyclopentylamino)-3-propan-2-ylpyrido[1,2-a]benzimidazole-4-carbonitrile

1-(cyclopentylamino)-3-propan-2-ylpyrido[1,2-a]benzimidazole-4-carbonitrile (PubChem CID 935605) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-(cyclopentylamino)-3-propan-2-ylpyrido[1,2-a]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name1-(cyclopentylamino)-3-propan-2-ylpyrido[1,2-a]benzimidazole-4-carbonitrile
PubChem CID935605
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name1-(cyclopentylamino)-3-propan-2-ylpyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCC(C)c1cc(NC2CCCC2)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C20H22N4/c1-13(2)15-11-19(22-14-7-3-4-8-14)24-18-10-6-5-9-17(18)23-20(24)16(15)12-21/h5-6,9-11,13-14,22H,3-4,7-8H2,1-2H3
InChIKeyGXCQILFRWOPLSP-UHFFFAOYSA-N
XLogP4.84
TPSA53.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylamino)-3-propan-2-ylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The IUPAC name of 1-(cyclopentylamino)-3-propan-2-ylpyrido[1,2-a]benzimidazole-4-carbonitrile (CID 935605) is 1-(cyclopentylamino)-3-propan-2-ylpyrido[1,2-a]benzimidazole-4-carbonitrile.
What is the SMILES notation for 1-(cyclopentylamino)-3-propan-2-ylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The canonical SMILES for 1-(cyclopentylamino)-3-propan-2-ylpyrido[1,2-a]benzimidazole-4-carbonitrile is CC(C)c1cc(NC2CCCC2)n2c(nc3ccccc32)c1C#N.
What is the InChIKey of 1-(cyclopentylamino)-3-propan-2-ylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The InChIKey is GXCQILFRWOPLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-13(2)15-11-19(22-14-7-3-4-8-14)24-18-10-6-5-9-17(18)23-20(24)16(15)12-21/h5-6,9-11,13-14,22H,3-4,7-8H2,1-2H3.
What are the key properties of 1-(cyclopentylamino)-3-propan-2-ylpyrido[1,2-a]benzimidazole-4-carbonitrile?
1-(cyclopentylamino)-3-propan-2-ylpyrido[1,2-a]benzimidazole-4-carbonitrile has a molecular weight of 318.42 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylamino)-3-propan-2-ylpyrido[1,2-a]benzimidazole-4-carbonitrile is sourced from PubChem (CID 935605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).