(5S)-2-[2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one

C19H23FN4O3 — CID 95203926

IUPAC(5S)-2-[2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCC[C@@]2(CCN(C(=O)COCc3nc4ccc(F)cc4[nH]3)C2)C1=O
InChIInChI=1S/C19H23FN4O3/c1-23-7-2-5-19(18(23)26)6-8-24(12-19)17(25)11-27-10-16-21-14-4-3-13(20)9-15(14)22-16/h3-4,9H,2,5-8,10-12H2,1H3,(H,21,22)/t19-/m0/s1
InChIKeyARJCQRPKEXVJTK-IBGZPJMESA-N
MW374.42 g/mol
LogP1.69
Rot. Bonds4

About (5S)-2-[2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one

(5S)-2-[2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 95203926) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is (5S)-2-[2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-2-[2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID95203926
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC Name(5S)-2-[2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCC[C@@]2(CCN(C(=O)COCc3nc4ccc(F)cc4[nH]3)C2)C1=O
InChIInChI=1S/C19H23FN4O3/c1-23-7-2-5-19(18(23)26)6-8-24(12-19)17(25)11-27-10-16-21-14-4-3-13(20)9-15(14)22-16/h3-4,9H,2,5-8,10-12H2,1H3,(H,21,22)/t19-/m0/s1
InChIKeyARJCQRPKEXVJTK-IBGZPJMESA-N
XLogP1.69
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-[2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-2-[2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one (CID 95203926) is (5S)-2-[2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-2-[2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-2-[2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one is CN1CCC[C@@]2(CCN(C(=O)COCc3nc4ccc(F)cc4[nH]3)C2)C1=O.
What is the InChIKey of (5S)-2-[2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is ARJCQRPKEXVJTK-IBGZPJMESA-N. The full InChI is InChI=1S/C19H23FN4O3/c1-23-7-2-5-19(18(23)26)6-8-24(12-19)17(25)11-27-10-16-21-14-4-3-13(20)9-15(14)22-16/h3-4,9H,2,5-8,10-12H2,1H3,(H,21,22)/t19-/m0/s1.
What are the key properties of (5S)-2-[2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
(5S)-2-[2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 374.42 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-[2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 95203926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).