1-[2-(dimethylamino)ethyl-methylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile

C18H21N5 — CID 133356127

IUPAC1-[2-(dimethylamino)ethyl-methylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCc1cc(N(C)CCN(C)C)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C18H21N5/c1-13-11-17(22(4)10-9-21(2)3)23-16-8-6-5-7-15(16)20-18(23)14(13)12-19/h5-8,11H,9-10H2,1-4H3
InChIKeyGAJZKJAAPFLJFT-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.67
Rot. Bonds4

About 1-[2-(dimethylamino)ethyl-methylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile

1-[2-(dimethylamino)ethyl-methylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile (PubChem CID 133356127) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl-methylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl-methylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
PubChem CID133356127
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name1-[2-(dimethylamino)ethyl-methylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCc1cc(N(C)CCN(C)C)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C18H21N5/c1-13-11-17(22(4)10-9-21(2)3)23-16-8-6-5-7-15(16)20-18(23)14(13)12-19/h5-8,11H,9-10H2,1-4H3
InChIKeyGAJZKJAAPFLJFT-UHFFFAOYSA-N
XLogP2.67
TPSA47.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-[methyl-[3-(2-methylimidazol-1-yl)propyl]amino]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 133398124
1-[bis(2-hydroxyethyl)amino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 4157319
3-methyl-1-[methyl-[3-(4-methylsulfonylphenoxy)propyl]amino]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 60590805
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
methyl 2-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-methylamino]benzoate
CID 3819362
1-[2-(diethylamino)ethylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 689389
1-(1-chloroethyl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 142668218
1-benzylsulfanyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3824744
1-(benzotriazol-1-yl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 19259127
N-butyl-2-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-methylacetamide
CID 112795701
3-methyl-1-(2-phenylethylsulfanyl)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 4271577

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl-methylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The IUPAC name of 1-[2-(dimethylamino)ethyl-methylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile (CID 133356127) is 1-[2-(dimethylamino)ethyl-methylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl-methylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The canonical SMILES for 1-[2-(dimethylamino)ethyl-methylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile is Cc1cc(N(C)CCN(C)C)n2c(nc3ccccc32)c1C#N.
What is the InChIKey of 1-[2-(dimethylamino)ethyl-methylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The InChIKey is GAJZKJAAPFLJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-13-11-17(22(4)10-9-21(2)3)23-16-8-6-5-7-15(16)20-18(23)14(13)12-19/h5-8,11H,9-10H2,1-4H3.
What are the key properties of 1-[2-(dimethylamino)ethyl-methylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
1-[2-(dimethylamino)ethyl-methylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile has a molecular weight of 307.40 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl-methylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile is sourced from PubChem (CID 133356127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).