N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide

C18H22FN5O3 — CID 121498272

IUPACN-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESCN1CC2(CCN(C(=O)NCc3nc4ccc(F)cc4[nH]3)CC2)OCC1=O
InChIInChI=1S/C18H22FN5O3/c1-23-11-18(27-10-16(23)25)4-6-24(7-5-18)17(26)20-9-15-21-13-3-2-12(19)8-14(13)22-15/h2-3,8H,4-7,9-11H2,1H3,(H,20,26)(H,21,22)
InChIKeyDWPYRQWLYDKHGN-UHFFFAOYSA-N
MW375.40 g/mol
LogP1.23
Rot. Bonds2

About N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide

N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide (PubChem CID 121498272) has the molecular formula C18H22FN5O3 and a molecular weight of 375.40 g/mol. Its IUPAC name is N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound NameN-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
PubChem CID121498272
Molecular FormulaC18H22FN5O3
Molecular Weight375.40 g/mol
Exact Mass375.17
IUPAC NameN-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESCN1CC2(CCN(C(=O)NCc3nc4ccc(F)cc4[nH]3)CC2)OCC1=O
InChIInChI=1S/C18H22FN5O3/c1-23-11-18(27-10-16(23)25)4-6-24(7-5-18)17(26)20-9-15-21-13-3-2-12(19)8-14(13)22-15/h2-3,8H,4-7,9-11H2,1H3,(H,20,26)(H,21,22)
InChIKeyDWPYRQWLYDKHGN-UHFFFAOYSA-N
XLogP1.23
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide (CID 121498272) is N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide is CN1CC2(CCN(C(=O)NCc3nc4ccc(F)cc4[nH]3)CC2)OCC1=O.
What is the InChIKey of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide?
The InChIKey is DWPYRQWLYDKHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O3/c1-23-11-18(27-10-16(23)25)4-6-24(7-5-18)17(26)20-9-15-21-13-3-2-12(19)8-14(13)22-15/h2-3,8H,4-7,9-11H2,1H3,(H,20,26)(H,21,22).
What are the key properties of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide?
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide has a molecular weight of 375.40 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 121498272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).