2-fluoro-4-methyl-3-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-N,N-di(propan-2-yl)benzamide

C21H30FN3O2 — CID 57313483

IUPAC2-fluoro-4-methyl-3-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-N,N-di(propan-2-yl)benzamide
SMILESCc1ccc(C(=O)N(C(C)C)C(C)C)c(F)c1C1=NC(C)(C(C)C)C(=O)N1
InChIInChI=1S/C21H30FN3O2/c1-11(2)21(8)20(27)23-18(24-21)16-14(7)9-10-15(17(16)22)19(26)25(12(3)4)13(5)6/h9-13H,1-8H3,(H,23,24,27)
InChIKeyQKLLXLIYXRVBHE-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.68
Rot. Bonds5

About 2-fluoro-4-methyl-3-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-N,N-di(propan-2-yl)benzamide

2-fluoro-4-methyl-3-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-N,N-di(propan-2-yl)benzamide (PubChem CID 57313483) has the molecular formula C21H30FN3O2 and a molecular weight of 375.49 g/mol. Its IUPAC name is 2-fluoro-4-methyl-3-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-N,N-di(propan-2-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-methyl-3-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-N,N-di(propan-2-yl)benzamide
PubChem CID57313483
Molecular FormulaC21H30FN3O2
Molecular Weight375.49 g/mol
Exact Mass375.23
IUPAC Name2-fluoro-4-methyl-3-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-N,N-di(propan-2-yl)benzamide
SMILESCc1ccc(C(=O)N(C(C)C)C(C)C)c(F)c1C1=NC(C)(C(C)C)C(=O)N1
InChIInChI=1S/C21H30FN3O2/c1-11(2)21(8)20(27)23-18(24-21)16-14(7)9-10-15(17(16)22)19(26)25(12(3)4)13(5)6/h9-13H,1-8H3,(H,23,24,27)
InChIKeyQKLLXLIYXRVBHE-UHFFFAOYSA-N
XLogP3.68
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4,5-trimethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoic acid
CID 88699423
sodium;hydride;2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoic acid
CID 173424593
2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxamide
CID 13250671
formaldehyde;5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
CID 159828826
2-[2-(2-hydroxy-2-phenylacetyl)phenyl]-4-methyl-4-propan-2-yl-1H-imidazol-5-one
CID 151639484
4-methyl-4-propan-2-yl-2-[2-(trifluoromethyl)phenyl]-1H-imidazol-5-one
CID 13476187
5-(carboxyamino)-6-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
CID 19010356
2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-6-thiophen-2-ylpyridine-3-carboxylic acid;propan-2-amine
CID 70411716
2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-5-[(Z)-2-phenylethenyl]pyridine-3-carboxylic acid
CID 70411627
azanium 5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
CID 139596823
6-methoxy-5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
CID 19010328
ethyl 2-[4-(1-fluoroethyl)-4-methyl-5-oxo-1H-imidazol-2-yl]pyridine-4-carboxylate
CID 57216105

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-3-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-N,N-di(propan-2-yl)benzamide?
The IUPAC name of 2-fluoro-4-methyl-3-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-N,N-di(propan-2-yl)benzamide (CID 57313483) is 2-fluoro-4-methyl-3-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-N,N-di(propan-2-yl)benzamide.
What is the SMILES notation for 2-fluoro-4-methyl-3-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-N,N-di(propan-2-yl)benzamide?
The canonical SMILES for 2-fluoro-4-methyl-3-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-N,N-di(propan-2-yl)benzamide is Cc1ccc(C(=O)N(C(C)C)C(C)C)c(F)c1C1=NC(C)(C(C)C)C(=O)N1.
What is the InChIKey of 2-fluoro-4-methyl-3-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-N,N-di(propan-2-yl)benzamide?
The InChIKey is QKLLXLIYXRVBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN3O2/c1-11(2)21(8)20(27)23-18(24-21)16-14(7)9-10-15(17(16)22)19(26)25(12(3)4)13(5)6/h9-13H,1-8H3,(H,23,24,27).
What are the key properties of 2-fluoro-4-methyl-3-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-N,N-di(propan-2-yl)benzamide?
2-fluoro-4-methyl-3-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-N,N-di(propan-2-yl)benzamide has a molecular weight of 375.49 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-3-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-N,N-di(propan-2-yl)benzamide is sourced from PubChem (CID 57313483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).