1-(3-chlorophenyl)imidazole-2-carbonitrile

C10H6ClN3 — CID 84671921

IUPAC1-(3-chlorophenyl)imidazole-2-carbonitrile
SMILESN#Cc1nccn1-c1cccc(Cl)c1
InChIInChI=1S/C10H6ClN3/c11-8-2-1-3-9(6-8)14-5-4-13-10(14)7-12/h1-6H
InChIKeyPDYFTQTVIHYKTA-UHFFFAOYSA-N
MW203.63 g/mol
LogP2.40
Rot. Bonds1

About 1-(3-chlorophenyl)imidazole-2-carbonitrile

1-(3-chlorophenyl)imidazole-2-carbonitrile (PubChem CID 84671921) has the molecular formula C10H6ClN3 and a molecular weight of 203.63 g/mol. Its IUPAC name is 1-(3-chlorophenyl)imidazole-2-carbonitrile.

Molecular Properties

Compound Name1-(3-chlorophenyl)imidazole-2-carbonitrile
PubChem CID84671921
Molecular FormulaC10H6ClN3
Molecular Weight203.63 g/mol
Exact Mass203.03
IUPAC Name1-(3-chlorophenyl)imidazole-2-carbonitrile
SMILESN#Cc1nccn1-c1cccc(Cl)c1
InChIInChI=1S/C10H6ClN3/c11-8-2-1-3-9(6-8)14-5-4-13-10(14)7-12/h1-6H
InChIKeyPDYFTQTVIHYKTA-UHFFFAOYSA-N
XLogP2.40
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)imidazol-2-amine
CID 106558369
2-(3-chlorophenyl)-1,2,4-triazole-3-carbonitrile
CID 84672777
1-(4-fluorophenyl)imidazole-2-carbonitrile
CID 84660888
4-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylbutanenitrile
CID 134010953
2-[1-(3-chlorophenyl)imidazol-2-yl]ethanamine
CID 82286818
1-imidazo[1,2-a]pyridin-5-ylimidazole-2-carbonitrile
CID 102627004
1-[4-(aminomethyl)-2-chlorophenyl]imidazole-2-carbonitrile
CID 81155464
2-(3-chlorophenyl)-5-methylpyrazole-3-carbonitrile
CID 71241581
1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)imidazole-2-carbonitrile
CID 137008254
1-(3-chlorophenyl)-2-(2-methylprop-2-enylsulfanyl)imidazole
CID 47134933
2-bromo-6-(2-cyanoimidazol-1-yl)benzoic acid
CID 114888528
2-(3-chlorophenyl)triazole-4-carbonitrile
CID 102534249

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)imidazole-2-carbonitrile?
The IUPAC name of 1-(3-chlorophenyl)imidazole-2-carbonitrile (CID 84671921) is 1-(3-chlorophenyl)imidazole-2-carbonitrile.
What is the SMILES notation for 1-(3-chlorophenyl)imidazole-2-carbonitrile?
The canonical SMILES for 1-(3-chlorophenyl)imidazole-2-carbonitrile is N#Cc1nccn1-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)imidazole-2-carbonitrile?
The InChIKey is PDYFTQTVIHYKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3/c11-8-2-1-3-9(6-8)14-5-4-13-10(14)7-12/h1-6H.
What are the key properties of 1-(3-chlorophenyl)imidazole-2-carbonitrile?
1-(3-chlorophenyl)imidazole-2-carbonitrile has a molecular weight of 203.63 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)imidazole-2-carbonitrile is sourced from PubChem (CID 84671921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).