2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]acetonitrile

C11H8ClN3 — CID 96610326

IUPAC2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]acetonitrile
SMILESN#CCc1ncc(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C11H8ClN3/c12-9-3-1-8(2-4-9)10-7-14-11(15-10)5-6-13/h1-4,7H,5H2,(H,14,15)
InChIKeyDHDFPZYTTVBGHW-UHFFFAOYSA-N
MW217.66 g/mol
LogP2.80
Rot. Bonds2

About 2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]acetonitrile

2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]acetonitrile (PubChem CID 96610326) has the molecular formula C11H8ClN3 and a molecular weight of 217.66 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]acetonitrile
PubChem CID96610326
Molecular FormulaC11H8ClN3
Molecular Weight217.66 g/mol
Exact Mass217.04
IUPAC Name2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]acetonitrile
SMILESN#CCc1ncc(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C11H8ClN3/c12-9-3-1-8(2-4-9)10-7-14-11(15-10)5-6-13/h1-4,7H,5H2,(H,14,15)
InChIKeyDHDFPZYTTVBGHW-UHFFFAOYSA-N
XLogP2.80
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]acetonitrile
CID 116880048
2-chloro-5-(4-chlorophenyl)-1H-imidazole
CID 30033002
2-[5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-yl]acetonitrile
CID 116880093
2-[(4-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole
CID 46198736
5-(4-chlorophenyl)-2-(thiophen-2-ylmethyl)-1H-imidazole
CID 71061784
2-(5-naphthalen-1-yl-1H-imidazol-2-yl)acetonitrile
CID 116880096
2-[5-(2-chloro-4-methoxyphenyl)-1H-imidazol-2-yl]acetonitrile
CID 116880039
5-(4-chlorophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61366673
3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]propanenitrile
CID 116880113
2-[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]acetonitrile
CID 116880034
2-amino-2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]ethanol
CID 116881536
2-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]acetonitrile
CID 82422531

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]acetonitrile?
The IUPAC name of 2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]acetonitrile (CID 96610326) is 2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]acetonitrile.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]acetonitrile?
The canonical SMILES for 2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]acetonitrile is N#CCc1ncc(-c2ccc(Cl)cc2)[nH]1.
What is the InChIKey of 2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]acetonitrile?
The InChIKey is DHDFPZYTTVBGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3/c12-9-3-1-8(2-4-9)10-7-14-11(15-10)5-6-13/h1-4,7H,5H2,(H,14,15).
What are the key properties of 2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]acetonitrile?
2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]acetonitrile has a molecular weight of 217.66 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]acetonitrile is sourced from PubChem (CID 96610326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).