4-[(2R)-3-cyclohexyl-2-methyl-2H-imidazol-1-yl]-3-methylbenzonitrile

C18H23N3 — CID 118441229

IUPAC4-[(2R)-3-cyclohexyl-2-methyl-2H-imidazol-1-yl]-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1N1C=CN(C2CCCCC2)[C@H]1C
InChIInChI=1S/C18H23N3/c1-14-12-16(13-19)8-9-18(14)21-11-10-20(15(21)2)17-6-4-3-5-7-17/h8-12,15,17H,3-7H2,1-2H3/t15-/m1/s1
InChIKeyKGGFNQCNMHTTPM-OAHLLOKOSA-N
MW281.40 g/mol
LogP4.14
Rot. Bonds2

About 4-[(2R)-3-cyclohexyl-2-methyl-2H-imidazol-1-yl]-3-methylbenzonitrile

4-[(2R)-3-cyclohexyl-2-methyl-2H-imidazol-1-yl]-3-methylbenzonitrile (PubChem CID 118441229) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-[(2R)-3-cyclohexyl-2-methyl-2H-imidazol-1-yl]-3-methylbenzonitrile.

Molecular Properties

Compound Name4-[(2R)-3-cyclohexyl-2-methyl-2H-imidazol-1-yl]-3-methylbenzonitrile
PubChem CID118441229
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name4-[(2R)-3-cyclohexyl-2-methyl-2H-imidazol-1-yl]-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1N1C=CN(C2CCCCC2)[C@H]1C
InChIInChI=1S/C18H23N3/c1-14-12-16(13-19)8-9-18(14)21-11-10-20(15(21)2)17-6-4-3-5-7-17/h8-12,15,17H,3-7H2,1-2H3/t15-/m1/s1
InChIKeyKGGFNQCNMHTTPM-OAHLLOKOSA-N
XLogP4.14
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-3-cyclohexyl-2-methyl-2H-imidazol-1-yl]-3-methylbenzonitrile?
The IUPAC name of 4-[(2R)-3-cyclohexyl-2-methyl-2H-imidazol-1-yl]-3-methylbenzonitrile (CID 118441229) is 4-[(2R)-3-cyclohexyl-2-methyl-2H-imidazol-1-yl]-3-methylbenzonitrile.
What is the SMILES notation for 4-[(2R)-3-cyclohexyl-2-methyl-2H-imidazol-1-yl]-3-methylbenzonitrile?
The canonical SMILES for 4-[(2R)-3-cyclohexyl-2-methyl-2H-imidazol-1-yl]-3-methylbenzonitrile is Cc1cc(C#N)ccc1N1C=CN(C2CCCCC2)[C@H]1C.
What is the InChIKey of 4-[(2R)-3-cyclohexyl-2-methyl-2H-imidazol-1-yl]-3-methylbenzonitrile?
The InChIKey is KGGFNQCNMHTTPM-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23N3/c1-14-12-16(13-19)8-9-18(14)21-11-10-20(15(21)2)17-6-4-3-5-7-17/h8-12,15,17H,3-7H2,1-2H3/t15-/m1/s1.
What are the key properties of 4-[(2R)-3-cyclohexyl-2-methyl-2H-imidazol-1-yl]-3-methylbenzonitrile?
4-[(2R)-3-cyclohexyl-2-methyl-2H-imidazol-1-yl]-3-methylbenzonitrile has a molecular weight of 281.40 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-3-cyclohexyl-2-methyl-2H-imidazol-1-yl]-3-methylbenzonitrile is sourced from PubChem (CID 118441229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).