3-methyl-1-[methyl-[3-(2-methylimidazol-1-yl)propyl]amino]pyrido[1,2-a]benzimidazole-4-carbonitrile

C21H22N6 — CID 133398124

IUPAC3-methyl-1-[methyl-[3-(2-methylimidazol-1-yl)propyl]amino]pyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCc1cc(N(C)CCCn2ccnc2C)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C21H22N6/c1-15-13-20(25(3)10-6-11-26-12-9-23-16(26)2)27-19-8-5-4-7-18(19)24-21(27)17(15)14-22/h4-5,7-9,12-13H,6,10-11H2,1-3H3
InChIKeyUNYZJMHIKOWHDN-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.70
Rot. Bonds5

About 3-methyl-1-[methyl-[3-(2-methylimidazol-1-yl)propyl]amino]pyrido[1,2-a]benzimidazole-4-carbonitrile

3-methyl-1-[methyl-[3-(2-methylimidazol-1-yl)propyl]amino]pyrido[1,2-a]benzimidazole-4-carbonitrile (PubChem CID 133398124) has the molecular formula C21H22N6 and a molecular weight of 358.45 g/mol. Its IUPAC name is 3-methyl-1-[methyl-[3-(2-methylimidazol-1-yl)propyl]amino]pyrido[1,2-a]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name3-methyl-1-[methyl-[3-(2-methylimidazol-1-yl)propyl]amino]pyrido[1,2-a]benzimidazole-4-carbonitrile
PubChem CID133398124
Molecular FormulaC21H22N6
Molecular Weight358.45 g/mol
Exact Mass358.19
IUPAC Name3-methyl-1-[methyl-[3-(2-methylimidazol-1-yl)propyl]amino]pyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCc1cc(N(C)CCCn2ccnc2C)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C21H22N6/c1-15-13-20(25(3)10-6-11-26-12-9-23-16(26)2)27-19-8-5-4-7-18(19)24-21(27)17(15)14-22/h4-5,7-9,12-13H,6,10-11H2,1-3H3
InChIKeyUNYZJMHIKOWHDN-UHFFFAOYSA-N
XLogP3.70
TPSA62.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(dimethylamino)ethyl-methylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 133356127
3-methyl-1-[methyl-[3-(4-methylsulfonylphenoxy)propyl]amino]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 60590805
1-[bis(2-hydroxyethyl)amino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 4157319
2-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-methylamino]-N-propylacetamide
CID 24632798
1-iodo-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 88919839
N,3-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]quinoxalin-2-amine
CID 133398160
2-ethyl-3-methyl-1-(2-methylimidazol-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 743377
methyl 2-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-methylamino]benzoate
CID 3819362
1-benzylsulfanyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3824744
1-(butylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3112193
1-[2-(diethylamino)ethylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 689389
3-methyl-1-[(3-methylphenyl)methylsulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 7225014

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[methyl-[3-(2-methylimidazol-1-yl)propyl]amino]pyrido[1,2-a]benzimidazole-4-carbonitrile?
The IUPAC name of 3-methyl-1-[methyl-[3-(2-methylimidazol-1-yl)propyl]amino]pyrido[1,2-a]benzimidazole-4-carbonitrile (CID 133398124) is 3-methyl-1-[methyl-[3-(2-methylimidazol-1-yl)propyl]amino]pyrido[1,2-a]benzimidazole-4-carbonitrile.
What is the SMILES notation for 3-methyl-1-[methyl-[3-(2-methylimidazol-1-yl)propyl]amino]pyrido[1,2-a]benzimidazole-4-carbonitrile?
The canonical SMILES for 3-methyl-1-[methyl-[3-(2-methylimidazol-1-yl)propyl]amino]pyrido[1,2-a]benzimidazole-4-carbonitrile is Cc1cc(N(C)CCCn2ccnc2C)n2c(nc3ccccc32)c1C#N.
What is the InChIKey of 3-methyl-1-[methyl-[3-(2-methylimidazol-1-yl)propyl]amino]pyrido[1,2-a]benzimidazole-4-carbonitrile?
The InChIKey is UNYZJMHIKOWHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6/c1-15-13-20(25(3)10-6-11-26-12-9-23-16(26)2)27-19-8-5-4-7-18(19)24-21(27)17(15)14-22/h4-5,7-9,12-13H,6,10-11H2,1-3H3.
What are the key properties of 3-methyl-1-[methyl-[3-(2-methylimidazol-1-yl)propyl]amino]pyrido[1,2-a]benzimidazole-4-carbonitrile?
3-methyl-1-[methyl-[3-(2-methylimidazol-1-yl)propyl]amino]pyrido[1,2-a]benzimidazole-4-carbonitrile has a molecular weight of 358.45 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[methyl-[3-(2-methylimidazol-1-yl)propyl]amino]pyrido[1,2-a]benzimidazole-4-carbonitrile is sourced from PubChem (CID 133398124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).