butane;ethane;4-[2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-2-yl]morpholine

C23H40FN3O — CID 176685782

IUPACbutane;ethane;4-[2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-2-yl]morpholine
SMILESCC.CC(C)n1c(C(C)(C)N2CCOCC2)nc2c(F)cccc21.CCCC
InChIInChI=1S/C17H24FN3O.C4H10.C2H6/c1-12(2)21-14-7-5-6-13(18)15(14)19-16(21)17(3,4)20-8-10-22-11-9-20;1-3-4-2;1-2/h5-7,12H,8-11H2,1-4H3;3-4H2,1-2H3;1-2H3
InChIKeySHZGZHRBIIHAST-UHFFFAOYSA-N
MW393.59 g/mol
LogP6.16
Rot. Bonds4

About butane;ethane;4-[2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-2-yl]morpholine

butane;ethane;4-[2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-2-yl]morpholine (PubChem CID 176685782) has the molecular formula C23H40FN3O and a molecular weight of 393.59 g/mol. Its IUPAC name is butane;ethane;4-[2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-2-yl]morpholine.

Molecular Properties

Compound Namebutane;ethane;4-[2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-2-yl]morpholine
PubChem CID176685782
Molecular FormulaC23H40FN3O
Molecular Weight393.59 g/mol
Exact Mass393.32
IUPAC Namebutane;ethane;4-[2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-2-yl]morpholine
SMILESCC.CC(C)n1c(C(C)(C)N2CCOCC2)nc2c(F)cccc21.CCCC
InChIInChI=1S/C17H24FN3O.C4H10.C2H6/c1-12(2)21-14-7-5-6-13(18)15(14)19-16(21)17(3,4)20-8-10-22-11-9-20;1-3-4-2;1-2/h5-7,12H,8-11H2,1-4H3;3-4H2,1-2H3;1-2H3
InChIKeySHZGZHRBIIHAST-UHFFFAOYSA-N
XLogP6.16
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.59
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-2-ol
CID 177073307
4-fluoro-2-(3-fluorooxetan-3-yl)-1-propan-2-ylbenzimidazole
CID 177073153
1-(2,6-difluorophenyl)-N-ethyl-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 79051927
3-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 60785241
4-[(7-fluoro-1-propan-2-ylindol-2-yl)methyl]morpholine
CID 117184085
2-amino-1-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethanol
CID 66165047
N-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine
CID 63066063
ethyl 2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)acetate
CID 79475353
3-fluoro-4-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol
CID 136751576
4-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]phenol
CID 60784171
1-butan-2-yl-2-(1-chloroethyl)-4-fluorobenzimidazole
CID 60790347
4-fluoro-1-octan-2-ylbenzimidazol-2-amine
CID 61480445

Frequently Asked Questions

What is the IUPAC name of butane;ethane;4-[2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-2-yl]morpholine?
The IUPAC name of butane;ethane;4-[2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-2-yl]morpholine (CID 176685782) is butane;ethane;4-[2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-2-yl]morpholine.
What is the SMILES notation for butane;ethane;4-[2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-2-yl]morpholine?
The canonical SMILES for butane;ethane;4-[2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-2-yl]morpholine is CC.CC(C)n1c(C(C)(C)N2CCOCC2)nc2c(F)cccc21.CCCC.
What is the InChIKey of butane;ethane;4-[2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-2-yl]morpholine?
The InChIKey is SHZGZHRBIIHAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O.C4H10.C2H6/c1-12(2)21-14-7-5-6-13(18)15(14)19-16(21)17(3,4)20-8-10-22-11-9-20;1-3-4-2;1-2/h5-7,12H,8-11H2,1-4H3;3-4H2,1-2H3;1-2H3.
What are the key properties of butane;ethane;4-[2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-2-yl]morpholine?
butane;ethane;4-[2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-2-yl]morpholine has a molecular weight of 393.59 g/mol, XLogP of 6.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;4-[2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-2-yl]morpholine is sourced from PubChem (CID 176685782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).