(2,5-dimethylphenyl)-(4-imidazol-1-ylcyclohexa-2,4-dien-1-yl)methanone

C18H18N2O — CID 163610019

IUPAC(2,5-dimethylphenyl)-(4-imidazol-1-ylcyclohexa-2,4-dien-1-yl)methanone
SMILESCc1ccc(C)c(C(=O)C2C=CC(n3ccnc3)=CC2)c1
InChIInChI=1S/C18H18N2O/c1-13-3-4-14(2)17(11-13)18(21)15-5-7-16(8-6-15)20-10-9-19-12-20/h3-5,7-12,15H,6H2,1-2H3
InChIKeyHFCOBTHNNXFGKL-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.80
Rot. Bonds3

About (2,5-dimethylphenyl)-(4-imidazol-1-ylcyclohexa-2,4-dien-1-yl)methanone

(2,5-dimethylphenyl)-(4-imidazol-1-ylcyclohexa-2,4-dien-1-yl)methanone (PubChem CID 163610019) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-(4-imidazol-1-ylcyclohexa-2,4-dien-1-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-(4-imidazol-1-ylcyclohexa-2,4-dien-1-yl)methanone
PubChem CID163610019
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name(2,5-dimethylphenyl)-(4-imidazol-1-ylcyclohexa-2,4-dien-1-yl)methanone
SMILESCc1ccc(C)c(C(=O)C2C=CC(n3ccnc3)=CC2)c1
InChIInChI=1S/C18H18N2O/c1-13-3-4-14(2)17(11-13)18(21)15-5-7-16(8-6-15)20-10-9-19-12-20/h3-5,7-12,15H,6H2,1-2H3
InChIKeyHFCOBTHNNXFGKL-UHFFFAOYSA-N
XLogP3.80
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-(4-imidazol-1-ylcyclohexa-2,4-dien-1-yl)methanone?
The IUPAC name of (2,5-dimethylphenyl)-(4-imidazol-1-ylcyclohexa-2,4-dien-1-yl)methanone (CID 163610019) is (2,5-dimethylphenyl)-(4-imidazol-1-ylcyclohexa-2,4-dien-1-yl)methanone.
What is the SMILES notation for (2,5-dimethylphenyl)-(4-imidazol-1-ylcyclohexa-2,4-dien-1-yl)methanone?
The canonical SMILES for (2,5-dimethylphenyl)-(4-imidazol-1-ylcyclohexa-2,4-dien-1-yl)methanone is Cc1ccc(C)c(C(=O)C2C=CC(n3ccnc3)=CC2)c1.
What is the InChIKey of (2,5-dimethylphenyl)-(4-imidazol-1-ylcyclohexa-2,4-dien-1-yl)methanone?
The InChIKey is HFCOBTHNNXFGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-13-3-4-14(2)17(11-13)18(21)15-5-7-16(8-6-15)20-10-9-19-12-20/h3-5,7-12,15H,6H2,1-2H3.
What are the key properties of (2,5-dimethylphenyl)-(4-imidazol-1-ylcyclohexa-2,4-dien-1-yl)methanone?
(2,5-dimethylphenyl)-(4-imidazol-1-ylcyclohexa-2,4-dien-1-yl)methanone has a molecular weight of 278.36 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-(4-imidazol-1-ylcyclohexa-2,4-dien-1-yl)methanone is sourced from PubChem (CID 163610019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).