1-[5-(4-ethylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile

C16H17N3 — CID 116882227

IUPAC1-[5-(4-ethylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile
SMILESCCc1ccc(-c2cnc(C3(C#N)CCC3)[nH]2)cc1
InChIInChI=1S/C16H17N3/c1-2-12-4-6-13(7-5-12)14-10-18-15(19-14)16(11-17)8-3-9-16/h4-7,10H,2-3,8-9H2,1H3,(H,18,19)
InChIKeyGMFWJCRKGJTMNM-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.58
Rot. Bonds3

About 1-[5-(4-ethylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile

1-[5-(4-ethylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile (PubChem CID 116882227) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[5-(4-ethylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[5-(4-ethylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile
PubChem CID116882227
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name1-[5-(4-ethylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile
SMILESCCc1ccc(-c2cnc(C3(C#N)CCC3)[nH]2)cc1
InChIInChI=1S/C16H17N3/c1-2-12-4-6-13(7-5-12)14-10-18-15(19-14)16(11-17)8-3-9-16/h4-7,10H,2-3,8-9H2,1H3,(H,18,19)
InChIKeyGMFWJCRKGJTMNM-UHFFFAOYSA-N
XLogP3.58
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]oxetane-3-carbonitrile
CID 116882538
1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile
CID 116882265
1-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile
CID 116882236
1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile
CID 116881844
1-[1-[5-(4-ethylphenyl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine
CID 116882166
5-(4-ethylphenyl)-1H-imidazole-2-carbonitrile
CID 14455646
1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile
CID 116881851
1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile
CID 116881914
3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]propanenitrile
CID 116880113
3-(5-pyridin-4-yl-1H-imidazol-2-yl)oxetane-3-carbonitrile
CID 116882579
1-[5-(3-bromophenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile
CID 116881915
1-(5-thiophen-2-yl-1H-imidazol-2-yl)cyclopropane-1-carbonitrile
CID 116881838

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-ethylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[5-(4-ethylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile (CID 116882227) is 1-[5-(4-ethylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[5-(4-ethylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[5-(4-ethylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile is CCc1ccc(-c2cnc(C3(C#N)CCC3)[nH]2)cc1.
What is the InChIKey of 1-[5-(4-ethylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile?
The InChIKey is GMFWJCRKGJTMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-2-12-4-6-13(7-5-12)14-10-18-15(19-14)16(11-17)8-3-9-16/h4-7,10H,2-3,8-9H2,1H3,(H,18,19).
What are the key properties of 1-[5-(4-ethylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile?
1-[5-(4-ethylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile has a molecular weight of 251.33 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-ethylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 116882227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).