1-(thiophen-3-ylmethyl)imidazole-4,5-dicarbonitrile

C10H6N4S — CID 112595726

IUPAC1-(thiophen-3-ylmethyl)imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(Cc2ccsc2)c1C#N
InChIInChI=1S/C10H6N4S/c11-3-9-10(4-12)14(7-13-9)5-8-1-2-15-6-8/h1-2,6-7H,5H2
InChIKeyDRDPMJQEHFOAMX-UHFFFAOYSA-N
MW214.25 g/mol
LogP1.74
Rot. Bonds2

About 1-(thiophen-3-ylmethyl)imidazole-4,5-dicarbonitrile

1-(thiophen-3-ylmethyl)imidazole-4,5-dicarbonitrile (PubChem CID 112595726) has the molecular formula C10H6N4S and a molecular weight of 214.25 g/mol. Its IUPAC name is 1-(thiophen-3-ylmethyl)imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-(thiophen-3-ylmethyl)imidazole-4,5-dicarbonitrile
PubChem CID112595726
Molecular FormulaC10H6N4S
Molecular Weight214.25 g/mol
Exact Mass214.03
IUPAC Name1-(thiophen-3-ylmethyl)imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(Cc2ccsc2)c1C#N
InChIInChI=1S/C10H6N4S/c11-3-9-10(4-12)14(7-13-9)5-8-1-2-15-6-8/h1-2,6-7H,5H2
InChIKeyDRDPMJQEHFOAMX-UHFFFAOYSA-N
XLogP1.74
TPSA65.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-thiazol-4-ylmethyl)imidazole-4,5-dicarbonitrile
CID 112595584
1-[(6-hydrazinyl-3-pyridinyl)methyl]imidazole-4,5-dicarbonitrile
CID 112595414
1-[(3-bromo-4-fluorophenyl)methyl]imidazole-4,5-dicarbonitrile
CID 112595486
1-(pyridin-2-ylmethyl)imidazole-4,5-dicarbonitrile
CID 112595443
3-[(4,5-dicyanoimidazol-1-yl)methyl]benzoic acid
CID 112595010
1-[(3-amino-5-bromophenyl)methyl]imidazole-4,5-dicarbonitrile
CID 103350197
1-(2-chloroethyl)imidazole-4,5-dicarbonitrile
CID 112595041
1-[(3-fluoro-4-methoxyphenyl)methyl]imidazole-4,5-dicarbonitrile
CID 112595718
1-[(5-bromofuran-2-yl)methyl]imidazole-4,5-dicarbonitrile
CID 112595727
1-[(3-bromo-4,5-dimethoxyphenyl)methyl]imidazole-4,5-dicarbonitrile
CID 86794612
1-prop-2-ynylimidazole-4,5-dicarbonitrile
CID 112595691
1-[(2,5-dimethylphenyl)methyl]imidazole-4,5-dicarbonitrile
CID 112595464

Frequently Asked Questions

What is the IUPAC name of 1-(thiophen-3-ylmethyl)imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-(thiophen-3-ylmethyl)imidazole-4,5-dicarbonitrile (CID 112595726) is 1-(thiophen-3-ylmethyl)imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-(thiophen-3-ylmethyl)imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-(thiophen-3-ylmethyl)imidazole-4,5-dicarbonitrile is N#Cc1ncn(Cc2ccsc2)c1C#N.
What is the InChIKey of 1-(thiophen-3-ylmethyl)imidazole-4,5-dicarbonitrile?
The InChIKey is DRDPMJQEHFOAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4S/c11-3-9-10(4-12)14(7-13-9)5-8-1-2-15-6-8/h1-2,6-7H,5H2.
What are the key properties of 1-(thiophen-3-ylmethyl)imidazole-4,5-dicarbonitrile?
1-(thiophen-3-ylmethyl)imidazole-4,5-dicarbonitrile has a molecular weight of 214.25 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-3-ylmethyl)imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 112595726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).