1-[2-amino-1-(5-chlorothiophen-2-yl)propyl]imidazole-4,5-dicarbonitrile

C12H10ClN5S — CID 112594940

IUPAC1-[2-amino-1-(5-chlorothiophen-2-yl)propyl]imidazole-4,5-dicarbonitrile
SMILESCC(N)C(c1ccc(Cl)s1)n1cnc(C#N)c1C#N
InChIInChI=1S/C12H10ClN5S/c1-7(16)12(10-2-3-11(13)19-10)18-6-17-8(4-14)9(18)5-15/h2-3,6-7,12H,16H2,1H3
InChIKeyCSEGNVPSHPJVAX-UHFFFAOYSA-N
MW291.77 g/mol
LogP2.28
Rot. Bonds3

About 1-[2-amino-1-(5-chlorothiophen-2-yl)propyl]imidazole-4,5-dicarbonitrile

1-[2-amino-1-(5-chlorothiophen-2-yl)propyl]imidazole-4,5-dicarbonitrile (PubChem CID 112594940) has the molecular formula C12H10ClN5S and a molecular weight of 291.77 g/mol. Its IUPAC name is 1-[2-amino-1-(5-chlorothiophen-2-yl)propyl]imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-[2-amino-1-(5-chlorothiophen-2-yl)propyl]imidazole-4,5-dicarbonitrile
PubChem CID112594940
Molecular FormulaC12H10ClN5S
Molecular Weight291.77 g/mol
Exact Mass291.03
IUPAC Name1-[2-amino-1-(5-chlorothiophen-2-yl)propyl]imidazole-4,5-dicarbonitrile
SMILESCC(N)C(c1ccc(Cl)s1)n1cnc(C#N)c1C#N
InChIInChI=1S/C12H10ClN5S/c1-7(16)12(10-2-3-11(13)19-10)18-6-17-8(4-14)9(18)5-15/h2-3,6-7,12H,16H2,1H3
InChIKeyCSEGNVPSHPJVAX-UHFFFAOYSA-N
XLogP2.28
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.77
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-amino-1-(4-chlorophenyl)propyl]imidazole-4,5-dicarbonitrile
CID 115944623
1-[2-amino-1-(3-methylthiophen-2-yl)propyl]imidazole-4,5-dicarbonitrile
CID 112594889
1-[2-amino-1-(4-methoxyphenyl)propyl]imidazole-4,5-dicarbonitrile
CID 115944586
2-(5-chlorothiophen-2-yl)-3-methylbutanenitrile
CID 82076378
1-(2-aminopropyl)imidazole-4,5-dicarbonitrile
CID 102689223
1-(3-oxobutan-2-yl)imidazole-4,5-dicarbonitrile
CID 112595248
(2R)-2-(4,5-dicyanoimidazol-1-yl)propanoic acid
CID 107427784
1-pentan-2-ylimidazole-4,5-dicarbonitrile
CID 107887293
1-[1-(3-chlorophenyl)-1-oxopropan-2-yl]imidazole-4,5-dicarbonitrile
CID 115944787
1-(5-chlorothiophen-2-yl)-1-(3,4-dimethoxypyrrolidin-1-yl)propan-2-amine
CID 103531123
(1R)-1-[3-[1-(5-chlorothiophen-2-yl)ethyl]imidazol-4-yl]ethanamine
CID 104942456
2-amino-3-[1-(5-chlorothiophen-2-yl)ethylamino]benzonitrile
CID 104716465

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(5-chlorothiophen-2-yl)propyl]imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-[2-amino-1-(5-chlorothiophen-2-yl)propyl]imidazole-4,5-dicarbonitrile (CID 112594940) is 1-[2-amino-1-(5-chlorothiophen-2-yl)propyl]imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-[2-amino-1-(5-chlorothiophen-2-yl)propyl]imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-[2-amino-1-(5-chlorothiophen-2-yl)propyl]imidazole-4,5-dicarbonitrile is CC(N)C(c1ccc(Cl)s1)n1cnc(C#N)c1C#N.
What is the InChIKey of 1-[2-amino-1-(5-chlorothiophen-2-yl)propyl]imidazole-4,5-dicarbonitrile?
The InChIKey is CSEGNVPSHPJVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5S/c1-7(16)12(10-2-3-11(13)19-10)18-6-17-8(4-14)9(18)5-15/h2-3,6-7,12H,16H2,1H3.
What are the key properties of 1-[2-amino-1-(5-chlorothiophen-2-yl)propyl]imidazole-4,5-dicarbonitrile?
1-[2-amino-1-(5-chlorothiophen-2-yl)propyl]imidazole-4,5-dicarbonitrile has a molecular weight of 291.77 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(5-chlorothiophen-2-yl)propyl]imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 112594940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).