1-(3-morpholin-4-ylpropylamino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile

C22H27N5O — CID 3157185

IUPAC1-(3-morpholin-4-ylpropylamino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCCCc1cc(NCCCN2CCOCC2)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C22H27N5O/c1-2-6-17-15-21(24-9-5-10-26-11-13-28-14-12-26)27-20-8-4-3-7-19(20)25-22(27)18(17)16-23/h3-4,7-8,15,24H,2,5-6,9-14H2,1H3
InChIKeyIOWOQHPRCPCINP-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.45
Rot. Bonds7

About 1-(3-morpholin-4-ylpropylamino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile

1-(3-morpholin-4-ylpropylamino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile (PubChem CID 3157185) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylpropylamino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name1-(3-morpholin-4-ylpropylamino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
PubChem CID3157185
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name1-(3-morpholin-4-ylpropylamino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCCCc1cc(NCCCN2CCOCC2)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C22H27N5O/c1-2-6-17-15-21(24-9-5-10-26-11-13-28-14-12-26)27-20-8-4-3-7-19(20)25-22(27)18(17)16-23/h3-4,7-8,15,24H,2,5-6,9-14H2,1H3
InChIKeyIOWOQHPRCPCINP-UHFFFAOYSA-N
XLogP3.45
TPSA65.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-(2-morpholin-4-ylethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 743371
1-[3-(diethylamino)propylamino]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3780174
1-(3-morpholin-4-ylpropylamino)-3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]benzimidazole-4-carbonitrile;dihydrochloride
CID 53363683
1-[[(2R)-oxolan-2-yl]methylamino]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 830181
11-(3-morpholin-4-ylpropylamino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile
CID 3157189
3-methyl-2-(3-methylbutyl)-1-(3-morpholin-4-ylpropylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 5108563
1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 988431
1-(butylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3112193
1-(cyclohexylamino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 855046
1-(4-butylanilino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3738495
1-(4-bromoanilino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3298534
1-(octylamino)-3-propan-2-ylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3751757

Frequently Asked Questions

What is the IUPAC name of 1-(3-morpholin-4-ylpropylamino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The IUPAC name of 1-(3-morpholin-4-ylpropylamino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile (CID 3157185) is 1-(3-morpholin-4-ylpropylamino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile.
What is the SMILES notation for 1-(3-morpholin-4-ylpropylamino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The canonical SMILES for 1-(3-morpholin-4-ylpropylamino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile is CCCc1cc(NCCCN2CCOCC2)n2c(nc3ccccc32)c1C#N.
What is the InChIKey of 1-(3-morpholin-4-ylpropylamino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The InChIKey is IOWOQHPRCPCINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-2-6-17-15-21(24-9-5-10-26-11-13-28-14-12-26)27-20-8-4-3-7-19(20)25-22(27)18(17)16-23/h3-4,7-8,15,24H,2,5-6,9-14H2,1H3.
What are the key properties of 1-(3-morpholin-4-ylpropylamino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile?
1-(3-morpholin-4-ylpropylamino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile has a molecular weight of 377.49 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylpropylamino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile is sourced from PubChem (CID 3157185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).