[3,3-dimethyl-2-(1-methylimidazol-2-yl)azetidin-1-yl]-(5-phenyl-2H-triazol-4-yl)methanone

C18H20N6O — CID 167784318

IUPAC[3,3-dimethyl-2-(1-methylimidazol-2-yl)azetidin-1-yl]-(5-phenyl-2H-triazol-4-yl)methanone
SMILESCn1ccnc1C1N(C(=O)c2n[nH]nc2-c2ccccc2)CC1(C)C
InChIInChI=1S/C18H20N6O/c1-18(2)11-24(15(18)16-19-9-10-23(16)3)17(25)14-13(20-22-21-14)12-7-5-4-6-8-12/h4-10,15H,11H2,1-3H3,(H,20,21,22)
InChIKeyNDLNSOJARQXRKD-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.43
Rot. Bonds3

About [3,3-dimethyl-2-(1-methylimidazol-2-yl)azetidin-1-yl]-(5-phenyl-2H-triazol-4-yl)methanone

[3,3-dimethyl-2-(1-methylimidazol-2-yl)azetidin-1-yl]-(5-phenyl-2H-triazol-4-yl)methanone (PubChem CID 167784318) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is [3,3-dimethyl-2-(1-methylimidazol-2-yl)azetidin-1-yl]-(5-phenyl-2H-triazol-4-yl)methanone.

Molecular Properties

Compound Name[3,3-dimethyl-2-(1-methylimidazol-2-yl)azetidin-1-yl]-(5-phenyl-2H-triazol-4-yl)methanone
PubChem CID167784318
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name[3,3-dimethyl-2-(1-methylimidazol-2-yl)azetidin-1-yl]-(5-phenyl-2H-triazol-4-yl)methanone
SMILESCn1ccnc1C1N(C(=O)c2n[nH]nc2-c2ccccc2)CC1(C)C
InChIInChI=1S/C18H20N6O/c1-18(2)11-24(15(18)16-19-9-10-23(16)3)17(25)14-13(20-22-21-14)12-7-5-4-6-8-12/h4-10,15H,11H2,1-3H3,(H,20,21,22)
InChIKeyNDLNSOJARQXRKD-UHFFFAOYSA-N
XLogP2.43
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3,3-dimethyl-2-(1-methylimidazol-2-yl)azetidin-1-yl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanone
CID 138033333
3-[3,3-dimethyl-2-(1-methylimidazol-2-yl)azetidine-1-carbonyl]-6,8-dimethyl-1H-quinolin-4-one
CID 128592698
[2-[1-(2-methoxyethyl)imidazol-2-yl]-3,3-dimethylazetidin-1-yl]-(1,2-thiazol-5-yl)methanone
CID 138012375
[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(5-phenyl-2H-triazol-4-yl)methanone
CID 138993124
methyl 4-fluoro-1-(5-phenyl-2H-triazole-4-carbonyl)piperidine-4-carboxylate
CID 166293384
[(3R,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]-(5-phenyl-2H-triazol-4-yl)methanone
CID 124627109
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(2-phenylphenoxy)ethanone
CID 120879746
2-[1-(cyclopropylmethylsulfonyl)-3,3-dimethylazetidin-2-yl]-1-methylimidazole
CID 128582413
(2'R,3R)-1'-(cyclopentanecarbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166621211
N-[2-(1-aminocyclopropyl)ethyl]-2-(1-benzylimidazol-2-yl)-3,3-dimethylazetidine-1-carboxamide
CID 167775927
[4-(1-methylimidazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 70761884
1'-(2,6-difluoro-3-methylbenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166624246

Frequently Asked Questions

What is the IUPAC name of [3,3-dimethyl-2-(1-methylimidazol-2-yl)azetidin-1-yl]-(5-phenyl-2H-triazol-4-yl)methanone?
The IUPAC name of [3,3-dimethyl-2-(1-methylimidazol-2-yl)azetidin-1-yl]-(5-phenyl-2H-triazol-4-yl)methanone (CID 167784318) is [3,3-dimethyl-2-(1-methylimidazol-2-yl)azetidin-1-yl]-(5-phenyl-2H-triazol-4-yl)methanone.
What is the SMILES notation for [3,3-dimethyl-2-(1-methylimidazol-2-yl)azetidin-1-yl]-(5-phenyl-2H-triazol-4-yl)methanone?
The canonical SMILES for [3,3-dimethyl-2-(1-methylimidazol-2-yl)azetidin-1-yl]-(5-phenyl-2H-triazol-4-yl)methanone is Cn1ccnc1C1N(C(=O)c2n[nH]nc2-c2ccccc2)CC1(C)C.
What is the InChIKey of [3,3-dimethyl-2-(1-methylimidazol-2-yl)azetidin-1-yl]-(5-phenyl-2H-triazol-4-yl)methanone?
The InChIKey is NDLNSOJARQXRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-18(2)11-24(15(18)16-19-9-10-23(16)3)17(25)14-13(20-22-21-14)12-7-5-4-6-8-12/h4-10,15H,11H2,1-3H3,(H,20,21,22).
What are the key properties of [3,3-dimethyl-2-(1-methylimidazol-2-yl)azetidin-1-yl]-(5-phenyl-2H-triazol-4-yl)methanone?
[3,3-dimethyl-2-(1-methylimidazol-2-yl)azetidin-1-yl]-(5-phenyl-2H-triazol-4-yl)methanone has a molecular weight of 336.40 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-dimethyl-2-(1-methylimidazol-2-yl)azetidin-1-yl]-(5-phenyl-2H-triazol-4-yl)methanone is sourced from PubChem (CID 167784318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).