1-[3-(diethylamino)propylamino]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile

C22H29N5 — CID 3780174

IUPAC1-[3-(diethylamino)propylamino]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCCCc1cc(NCCCN(CC)CC)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C22H29N5/c1-4-10-17-15-21(24-13-9-14-26(5-2)6-3)27-20-12-8-7-11-19(20)25-22(27)18(17)16-23/h7-8,11-12,15,24H,4-6,9-10,13-14H2,1-3H3
InChIKeyARIKZUMWURJCQP-UHFFFAOYSA-N
MW363.51 g/mol
LogP4.46
Rot. Bonds9

About 1-[3-(diethylamino)propylamino]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile

1-[3-(diethylamino)propylamino]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile (PubChem CID 3780174) has the molecular formula C22H29N5 and a molecular weight of 363.51 g/mol. Its IUPAC name is 1-[3-(diethylamino)propylamino]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name1-[3-(diethylamino)propylamino]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
PubChem CID3780174
Molecular FormulaC22H29N5
Molecular Weight363.51 g/mol
Exact Mass363.24
IUPAC Name1-[3-(diethylamino)propylamino]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCCCc1cc(NCCCN(CC)CC)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C22H29N5/c1-4-10-17-15-21(24-13-9-14-26(5-2)6-3)27-20-12-8-7-11-19(20)25-22(27)18(17)16-23/h7-8,11-12,15,24H,4-6,9-10,13-14H2,1-3H3
InChIKeyARIKZUMWURJCQP-UHFFFAOYSA-N
XLogP4.46
TPSA56.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(diethylamino)ethylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 689389
1-(3-morpholin-4-ylpropylamino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3157185
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-(3,4-dichloroanilino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 19259176
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
16-[3-(diethylamino)propylamino]-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile
CID 3157183
N-[3-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]propyl]-N-ethylmethanesulfonamide
CID 60521222
1-(cyclohexylamino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 855046
1-[[(2R)-oxolan-2-yl]methylamino]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 830181
1-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]-3-ethylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 26436461

Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)propylamino]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The IUPAC name of 1-[3-(diethylamino)propylamino]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile (CID 3780174) is 1-[3-(diethylamino)propylamino]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile.
What is the SMILES notation for 1-[3-(diethylamino)propylamino]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The canonical SMILES for 1-[3-(diethylamino)propylamino]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile is CCCc1cc(NCCCN(CC)CC)n2c(nc3ccccc32)c1C#N.
What is the InChIKey of 1-[3-(diethylamino)propylamino]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The InChIKey is ARIKZUMWURJCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5/c1-4-10-17-15-21(24-13-9-14-26(5-2)6-3)27-20-12-8-7-11-19(20)25-22(27)18(17)16-23/h7-8,11-12,15,24H,4-6,9-10,13-14H2,1-3H3.
What are the key properties of 1-[3-(diethylamino)propylamino]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile?
1-[3-(diethylamino)propylamino]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile has a molecular weight of 363.51 g/mol, XLogP of 4.46, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)propylamino]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile is sourced from PubChem (CID 3780174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).