4-(2-ethylimidazol-1-yl)-2,2-diphenylbutanenitrile

C21H21N3 — CID 100942188

IUPAC4-(2-ethylimidazol-1-yl)-2,2-diphenylbutanenitrile
SMILESCCc1nccn1CCC(C#N)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21N3/c1-2-20-23-14-16-24(20)15-13-21(17-22,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,14,16H,2,13,15H2,1H3
InChIKeyBYRMTPIQFVOLFK-UHFFFAOYSA-N
MW315.42 g/mol
LogP4.35
Rot. Bonds6

About 4-(2-ethylimidazol-1-yl)-2,2-diphenylbutanenitrile

4-(2-ethylimidazol-1-yl)-2,2-diphenylbutanenitrile (PubChem CID 100942188) has the molecular formula C21H21N3 and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-(2-ethylimidazol-1-yl)-2,2-diphenylbutanenitrile.

Molecular Properties

Compound Name4-(2-ethylimidazol-1-yl)-2,2-diphenylbutanenitrile
PubChem CID100942188
Molecular FormulaC21H21N3
Molecular Weight315.42 g/mol
Exact Mass315.17
IUPAC Name4-(2-ethylimidazol-1-yl)-2,2-diphenylbutanenitrile
SMILESCCc1nccn1CCC(C#N)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21N3/c1-2-20-23-14-16-24(20)15-13-21(17-22,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,14,16H,2,13,15H2,1H3
InChIKeyBYRMTPIQFVOLFK-UHFFFAOYSA-N
XLogP4.35
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-diphenyl-4-(2-propylimidazol-1-yl)butanenitrile
CID 100942189
5-(2-ethylimidazol-1-yl)-2,2-dimethylpentanenitrile
CID 65255231
4-(2-ethylimidazol-1-yl)-2,2-dimethylbutanoic acid
CID 65248356
2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole
CID 132598751
2-phenyl-1-(1-propylimidazol-2-yl)propan-2-ol
CID 79744122
3-(2-ethylimidazol-1-yl)-1-phenylpropan-1-one
CID 116691859
2,2-diphenyloctadecanenitrile
CID 154150395
4-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-diphenylbutanenitrile
CID 154841334
3-(2-ethylimidazol-1-yl)propanoic acid
CID 579344
6,6-dimethyl-2,2-diphenylheptanenitrile
CID 122487139
2-methyl-2-phenyl-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 62956494
2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole
CID 63811781

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylimidazol-1-yl)-2,2-diphenylbutanenitrile?
The IUPAC name of 4-(2-ethylimidazol-1-yl)-2,2-diphenylbutanenitrile (CID 100942188) is 4-(2-ethylimidazol-1-yl)-2,2-diphenylbutanenitrile.
What is the SMILES notation for 4-(2-ethylimidazol-1-yl)-2,2-diphenylbutanenitrile?
The canonical SMILES for 4-(2-ethylimidazol-1-yl)-2,2-diphenylbutanenitrile is CCc1nccn1CCC(C#N)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(2-ethylimidazol-1-yl)-2,2-diphenylbutanenitrile?
The InChIKey is BYRMTPIQFVOLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3/c1-2-20-23-14-16-24(20)15-13-21(17-22,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,14,16H,2,13,15H2,1H3.
What are the key properties of 4-(2-ethylimidazol-1-yl)-2,2-diphenylbutanenitrile?
4-(2-ethylimidazol-1-yl)-2,2-diphenylbutanenitrile has a molecular weight of 315.42 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylimidazol-1-yl)-2,2-diphenylbutanenitrile is sourced from PubChem (CID 100942188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).