2-methylpropyl 4-(5-fluoro-6-methyl-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate

C18H24FN3O3 — CID 69128386

IUPAC2-methylpropyl 4-(5-fluoro-6-methyl-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
SMILESCc1cc2c(cc1F)[nH]c(=O)n2C1CCN(C(=O)OCC(C)C)CC1
InChIInChI=1S/C18H24FN3O3/c1-11(2)10-25-18(24)21-6-4-13(5-7-21)22-16-8-12(3)14(19)9-15(16)20-17(22)23/h8-9,11,13H,4-7,10H2,1-3H3,(H,20,23)
InChIKeyCLKJCLQDJVJSJY-UHFFFAOYSA-N
MW349.41 g/mol
LogP3.21
Rot. Bonds3

About 2-methylpropyl 4-(5-fluoro-6-methyl-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate

2-methylpropyl 4-(5-fluoro-6-methyl-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate (PubChem CID 69128386) has the molecular formula C18H24FN3O3 and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-methylpropyl 4-(5-fluoro-6-methyl-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-(5-fluoro-6-methyl-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
PubChem CID69128386
Molecular FormulaC18H24FN3O3
Molecular Weight349.41 g/mol
Exact Mass349.18
IUPAC Name2-methylpropyl 4-(5-fluoro-6-methyl-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
SMILESCc1cc2c(cc1F)[nH]c(=O)n2C1CCN(C(=O)OCC(C)C)CC1
InChIInChI=1S/C18H24FN3O3/c1-11(2)10-25-18(24)21-6-4-13(5-7-21)22-16-8-12(3)14(19)9-15(16)20-17(22)23/h8-9,11,13H,4-7,10H2,1-3H3,(H,20,23)
InChIKeyCLKJCLQDJVJSJY-UHFFFAOYSA-N
XLogP3.21
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methylpropyl 4-(5-fluoro-6-methyl-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate with MolForge

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Related Compounds

2-methylpropyl 4-(6-fluoro-5-methyl-2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxylate
CID 68730328
6-fluoro-5-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one
CID 59850210
2,2-difluoroethyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 172967860
6-fluoro-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 59846683
3-cyclopropyl-5,6-difluoro-1H-benzimidazol-2-one
CID 66693552
ethane;2-fluoroethyl 3-[4-(5,6-difluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-3-methylpyrrolidine-1-carboxylate;molecular hydrogen
CID 143859631
6-chloro-3-[1-(4-methylpentanoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968198
tert-butyl 4-(5-chloro-6-methoxy-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 59850206
ethyl 3-[4-(6-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-3-methylpyrrolidine-1-carboxylate
CID 162194377
benzyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 59578112
ethyl 3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate
CID 24969821
[(2S)-2-[benzyl-[(3-chlorophenyl)methyl]amino]propyl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate;hydrochloride
CID 67179804

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-(5-fluoro-6-methyl-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-(5-fluoro-6-methyl-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate (CID 69128386) is 2-methylpropyl 4-(5-fluoro-6-methyl-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-(5-fluoro-6-methyl-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-(5-fluoro-6-methyl-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate is Cc1cc2c(cc1F)[nH]c(=O)n2C1CCN(C(=O)OCC(C)C)CC1.
What is the InChIKey of 2-methylpropyl 4-(5-fluoro-6-methyl-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate?
The InChIKey is CLKJCLQDJVJSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O3/c1-11(2)10-25-18(24)21-6-4-13(5-7-21)22-16-8-12(3)14(19)9-15(16)20-17(22)23/h8-9,11,13H,4-7,10H2,1-3H3,(H,20,23).
What are the key properties of 2-methylpropyl 4-(5-fluoro-6-methyl-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate?
2-methylpropyl 4-(5-fluoro-6-methyl-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate has a molecular weight of 349.41 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-(5-fluoro-6-methyl-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 69128386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).