[3-[2-(2-hydroxyethyl)-5-methyl-1H-imidazol-4-yl]-4-methylphenyl]-[3-(4-methylphenyl)azetidin-1-yl]methanone

C24H27N3O2 — CID 123580904

IUPAC[3-[2-(2-hydroxyethyl)-5-methyl-1H-imidazol-4-yl]-4-methylphenyl]-[3-(4-methylphenyl)azetidin-1-yl]methanone
SMILESCc1ccc(C2CN(C(=O)c3ccc(C)c(-c4nc(CCO)[nH]c4C)c3)C2)cc1
InChIInChI=1S/C24H27N3O2/c1-15-4-7-18(8-5-15)20-13-27(14-20)24(29)19-9-6-16(2)21(12-19)23-17(3)25-22(26-23)10-11-28/h4-9,12,20,28H,10-11,13-14H2,1-3H3,(H,25,26)
InChIKeyKNEDBYPAJOPJDG-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.78
Rot. Bonds5

About [3-[2-(2-hydroxyethyl)-5-methyl-1H-imidazol-4-yl]-4-methylphenyl]-[3-(4-methylphenyl)azetidin-1-yl]methanone

[3-[2-(2-hydroxyethyl)-5-methyl-1H-imidazol-4-yl]-4-methylphenyl]-[3-(4-methylphenyl)azetidin-1-yl]methanone (PubChem CID 123580904) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is [3-[2-(2-hydroxyethyl)-5-methyl-1H-imidazol-4-yl]-4-methylphenyl]-[3-(4-methylphenyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name[3-[2-(2-hydroxyethyl)-5-methyl-1H-imidazol-4-yl]-4-methylphenyl]-[3-(4-methylphenyl)azetidin-1-yl]methanone
PubChem CID123580904
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name[3-[2-(2-hydroxyethyl)-5-methyl-1H-imidazol-4-yl]-4-methylphenyl]-[3-(4-methylphenyl)azetidin-1-yl]methanone
SMILESCc1ccc(C2CN(C(=O)c3ccc(C)c(-c4nc(CCO)[nH]c4C)c3)C2)cc1
InChIInChI=1S/C24H27N3O2/c1-15-4-7-18(8-5-15)20-13-27(14-20)24(29)19-9-6-16(2)21(12-19)23-17(3)25-22(26-23)10-11-28/h4-9,12,20,28H,10-11,13-14H2,1-3H3,(H,25,26)
InChIKeyKNEDBYPAJOPJDG-UHFFFAOYSA-N
XLogP3.78
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[3-(5-chloro-2-hept-3-ynyl-1H-imidazol-4-yl)-4-methylbenzoyl]azetidin-3-yl]benzonitrile
CID 123181894
1-[4-[5-methyl-4-[2-methyl-5-[3-[4-(methylamino)phenyl]azetidine-1-carbonyl]phenyl]-1H-imidazol-2-yl]piperidin-1-yl]ethanone
CID 155312962
[3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methylphenyl]-[4-(4-ethylphenyl)piperidin-1-yl]methanone
CID 176753163
4-[1-[3-[2-(4-hydroxyoxan-4-yl)-5-methyl-1H-imidazol-4-yl]-4-methylbenzoyl]azetidin-3-yl]benzonitrile
CID 90030114
4-[1-[3-[2-(1-tert-butylpiperidin-4-yl)-5-methyl-1H-imidazol-4-yl]-4-methylbenzoyl]azetidin-3-yl]benzonitrile
CID 118171141
[3-[3-(2-methoxyethoxy)-4-methyl-1H-pyrazol-5-yl]-4-methylphenyl]-[3-(4-methylphenyl)azetidin-1-yl]methanone
CID 122677175
[3-(5-chloro-2-propan-2-yl-1H-imidazol-4-yl)-4-methylphenyl]-[3-(4-nitrophenyl)azetidin-1-yl]methanone
CID 135368754
2-[5-chloro-4-[2-methyl-5-[4-[4-(methylamino)phenyl]piperidine-1-carbonyl]phenyl]-1H-imidazol-2-yl]acetonitrile
CID 155312907
4-[1-[2,4-dimethyl-5-(5-methyl-2-propan-2-yl-1H-imidazol-4-yl)benzoyl]azetidin-3-yl]benzonitrile;ethane
CID 144872548
4-[1-[3-(4-chloro-1H-pyrazol-5-yl)-4-methylbenzoyl]azetidin-3-yl]benzonitrile
CID 90033126
4-[1-(3,4-dimethylbenzoyl)azetidin-3-yl]benzonitrile
CID 123312174
[3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methylphenyl]-[4-([1,2,4]triazolo[4,3-a]pyridin-7-yl)piperidin-1-yl]methanone
CID 90030559

Frequently Asked Questions

What is the IUPAC name of [3-[2-(2-hydroxyethyl)-5-methyl-1H-imidazol-4-yl]-4-methylphenyl]-[3-(4-methylphenyl)azetidin-1-yl]methanone?
The IUPAC name of [3-[2-(2-hydroxyethyl)-5-methyl-1H-imidazol-4-yl]-4-methylphenyl]-[3-(4-methylphenyl)azetidin-1-yl]methanone (CID 123580904) is [3-[2-(2-hydroxyethyl)-5-methyl-1H-imidazol-4-yl]-4-methylphenyl]-[3-(4-methylphenyl)azetidin-1-yl]methanone.
What is the SMILES notation for [3-[2-(2-hydroxyethyl)-5-methyl-1H-imidazol-4-yl]-4-methylphenyl]-[3-(4-methylphenyl)azetidin-1-yl]methanone?
The canonical SMILES for [3-[2-(2-hydroxyethyl)-5-methyl-1H-imidazol-4-yl]-4-methylphenyl]-[3-(4-methylphenyl)azetidin-1-yl]methanone is Cc1ccc(C2CN(C(=O)c3ccc(C)c(-c4nc(CCO)[nH]c4C)c3)C2)cc1.
What is the InChIKey of [3-[2-(2-hydroxyethyl)-5-methyl-1H-imidazol-4-yl]-4-methylphenyl]-[3-(4-methylphenyl)azetidin-1-yl]methanone?
The InChIKey is KNEDBYPAJOPJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-15-4-7-18(8-5-15)20-13-27(14-20)24(29)19-9-6-16(2)21(12-19)23-17(3)25-22(26-23)10-11-28/h4-9,12,20,28H,10-11,13-14H2,1-3H3,(H,25,26).
What are the key properties of [3-[2-(2-hydroxyethyl)-5-methyl-1H-imidazol-4-yl]-4-methylphenyl]-[3-(4-methylphenyl)azetidin-1-yl]methanone?
[3-[2-(2-hydroxyethyl)-5-methyl-1H-imidazol-4-yl]-4-methylphenyl]-[3-(4-methylphenyl)azetidin-1-yl]methanone has a molecular weight of 389.50 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(2-hydroxyethyl)-5-methyl-1H-imidazol-4-yl]-4-methylphenyl]-[3-(4-methylphenyl)azetidin-1-yl]methanone is sourced from PubChem (CID 123580904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).