cyclohexen-1-yl-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]methanol

C22H23N3O — CID 118303684

IUPACcyclohexen-1-yl-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]methanol
SMILESCc1cccc(-c2nc(C(O)C3=CCCCC3)[nH]c2-c2ccncc2)c1
InChIInChI=1S/C22H23N3O/c1-15-6-5-9-18(14-15)20-19(16-10-12-23-13-11-16)24-22(25-20)21(26)17-7-3-2-4-8-17/h5-7,9-14,21,26H,2-4,8H2,1H3,(H,24,25)
InChIKeyHYHWCUGERNSYOE-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.98
Rot. Bonds4

About cyclohexen-1-yl-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]methanol

cyclohexen-1-yl-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]methanol (PubChem CID 118303684) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is cyclohexen-1-yl-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]methanol.

Molecular Properties

Compound Namecyclohexen-1-yl-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]methanol
PubChem CID118303684
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Namecyclohexen-1-yl-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]methanol
SMILESCc1cccc(-c2nc(C(O)C3=CCCCC3)[nH]c2-c2ccncc2)c1
InChIInChI=1S/C22H23N3O/c1-15-6-5-9-18(14-15)20-19(16-10-12-23-13-11-16)24-22(25-20)21(26)17-7-3-2-4-8-17/h5-7,9-14,21,26H,2-4,8H2,1H3,(H,24,25)
InChIKeyHYHWCUGERNSYOE-UHFFFAOYSA-N
XLogP4.98
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]methanol?
The IUPAC name of cyclohexen-1-yl-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]methanol (CID 118303684) is cyclohexen-1-yl-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]methanol.
What is the SMILES notation for cyclohexen-1-yl-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]methanol?
The canonical SMILES for cyclohexen-1-yl-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]methanol is Cc1cccc(-c2nc(C(O)C3=CCCCC3)[nH]c2-c2ccncc2)c1.
What is the InChIKey of cyclohexen-1-yl-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]methanol?
The InChIKey is HYHWCUGERNSYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-15-6-5-9-18(14-15)20-19(16-10-12-23-13-11-16)24-22(25-20)21(26)17-7-3-2-4-8-17/h5-7,9-14,21,26H,2-4,8H2,1H3,(H,24,25).
What are the key properties of cyclohexen-1-yl-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]methanol?
cyclohexen-1-yl-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]methanol has a molecular weight of 345.45 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]methanol is sourced from PubChem (CID 118303684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).