1-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-2-(3-methylimidazol-4-yl)imidazole

C22H28N4O — CID 154566520

IUPAC1-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-2-(3-methylimidazol-4-yl)imidazole
SMILESCn1cncc1-c1nccn1CCC1(c2ccccc2)CCOC(C)(C)C1
InChIInChI=1S/C22H28N4O/c1-21(2)16-22(10-14-27-21,18-7-5-4-6-8-18)9-12-26-13-11-24-20(26)19-15-23-17-25(19)3/h4-8,11,13,15,17H,9-10,12,14,16H2,1-3H3
InChIKeyNDCGZLFHXZSCGV-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.20
Rot. Bonds5

About 1-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-2-(3-methylimidazol-4-yl)imidazole

1-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-2-(3-methylimidazol-4-yl)imidazole (PubChem CID 154566520) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-2-(3-methylimidazol-4-yl)imidazole.

Molecular Properties

Compound Name1-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-2-(3-methylimidazol-4-yl)imidazole
PubChem CID154566520
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name1-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-2-(3-methylimidazol-4-yl)imidazole
SMILESCn1cncc1-c1nccn1CCC1(c2ccccc2)CCOC(C)(C)C1
InChIInChI=1S/C22H28N4O/c1-21(2)16-22(10-14-27-21,18-7-5-4-6-8-18)9-12-26-13-11-24-20(26)19-15-23-17-25(19)3/h4-8,11,13,15,17H,9-10,12,14,16H2,1-3H3
InChIKeyNDCGZLFHXZSCGV-UHFFFAOYSA-N
XLogP4.20
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]pyrazine-2-carboxamide
CID 90653265
N-[2-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-3-pyridin-4-ylazetidine-1-carboxamide
CID 126424742
N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
CID 77083886
N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-4-(4-pyrazol-1-ylphenyl)pyrimidin-2-amine
CID 73388902
4-N-[2-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-2-methylpyrimidine-4,6-diamine
CID 97132520
(1S)-N-[2-[(4S)-2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]ethyl]-1-phenylethanamine
CID 1341544
N-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]benzenesulfonamide
CID 1076269
N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 138384882
4-[2-(dimethylsulfamoylamino)ethyl]-2,2-dimethyl-4-phenyloxane
CID 131909737
1-amino-N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]cyclopropane-1-carboxamide
CID 56861115
1-methyl-5-[1-[2-(oxolan-2-ylmethoxy)phenyl]imidazol-2-yl]imidazole
CID 56710746
2-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl-[(1R)-1-(4-methoxyphenyl)ethyl]azanium
CID 6984897

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-2-(3-methylimidazol-4-yl)imidazole?
The IUPAC name of 1-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-2-(3-methylimidazol-4-yl)imidazole (CID 154566520) is 1-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-2-(3-methylimidazol-4-yl)imidazole.
What is the SMILES notation for 1-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-2-(3-methylimidazol-4-yl)imidazole?
The canonical SMILES for 1-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-2-(3-methylimidazol-4-yl)imidazole is Cn1cncc1-c1nccn1CCC1(c2ccccc2)CCOC(C)(C)C1.
What is the InChIKey of 1-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-2-(3-methylimidazol-4-yl)imidazole?
The InChIKey is NDCGZLFHXZSCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-21(2)16-22(10-14-27-21,18-7-5-4-6-8-18)9-12-26-13-11-24-20(26)19-15-23-17-25(19)3/h4-8,11,13,15,17H,9-10,12,14,16H2,1-3H3.
What are the key properties of 1-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-2-(3-methylimidazol-4-yl)imidazole?
1-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-2-(3-methylimidazol-4-yl)imidazole has a molecular weight of 364.49 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-2-(3-methylimidazol-4-yl)imidazole is sourced from PubChem (CID 154566520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).