2-[[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]methyl]benzonitrile

C19H16ClN3 — CID 82561434

IUPAC2-[[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]methyl]benzonitrile
SMILESN#Cc1ccccc1Cn1ccnc1CCc1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN3/c20-18-8-5-15(6-9-18)7-10-19-22-11-12-23(19)14-17-4-2-1-3-16(17)13-21/h1-6,8-9,11-12H,7,10,14H2
InChIKeyBLUAKIJSLKEZJA-UHFFFAOYSA-N
MW321.81 g/mol
LogP4.24
Rot. Bonds5

About 2-[[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]methyl]benzonitrile

2-[[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]methyl]benzonitrile (PubChem CID 82561434) has the molecular formula C19H16ClN3 and a molecular weight of 321.81 g/mol. Its IUPAC name is 2-[[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]methyl]benzonitrile
PubChem CID82561434
Molecular FormulaC19H16ClN3
Molecular Weight321.81 g/mol
Exact Mass321.10
IUPAC Name2-[[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]methyl]benzonitrile
SMILESN#Cc1ccccc1Cn1ccnc1CCc1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN3/c20-18-8-5-15(6-9-18)7-10-19-22-11-12-23(19)14-17-4-2-1-3-16(17)13-21/h1-6,8-9,11-12H,7,10,14H2
InChIKeyBLUAKIJSLKEZJA-UHFFFAOYSA-N
XLogP4.24
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[2-(4-methoxyphenyl)ethyl]imidazol-1-yl]methyl]benzonitrile
CID 82561426
2-[[2-[[4-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]methyl]benzonitrile
CID 82561546
2-[[2-(2-aminopropyl)imidazol-1-yl]methyl]benzonitrile
CID 63096527
2-[[2-[(tert-butylamino)methyl]imidazol-1-yl]methyl]benzonitrile
CID 62223246
2-fluoro-3-[(2-propylimidazol-1-yl)methyl]benzonitrile
CID 113350342
2-[[2-(propylaminomethyl)imidazol-1-yl]methyl]benzonitrile
CID 62221269
2-[[2-(3-chlorophenyl)imidazol-1-yl]methyl]benzonitrile
CID 82561625
2-[[2-[(1-phenylpyrazol-4-yl)methyl]imidazol-1-yl]methyl]benzonitrile
CID 82561518
2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]benzonitrile
CID 8693348
4-[[2-[(4-chlorophenyl)methyl]imidazol-1-yl]methyl]benzonitrile
CID 82561420
2-[(2-tert-butylimidazol-1-yl)methyl]benzonitrile
CID 82561566
2-[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]-N-methylethanamine
CID 82558058

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]methyl]benzonitrile?
The IUPAC name of 2-[[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]methyl]benzonitrile (CID 82561434) is 2-[[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 2-[[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]methyl]benzonitrile?
The canonical SMILES for 2-[[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]methyl]benzonitrile is N#Cc1ccccc1Cn1ccnc1CCc1ccc(Cl)cc1.
What is the InChIKey of 2-[[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]methyl]benzonitrile?
The InChIKey is BLUAKIJSLKEZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3/c20-18-8-5-15(6-9-18)7-10-19-22-11-12-23(19)14-17-4-2-1-3-16(17)13-21/h1-6,8-9,11-12H,7,10,14H2.
What are the key properties of 2-[[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]methyl]benzonitrile?
2-[[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]methyl]benzonitrile has a molecular weight of 321.81 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 82561434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).