(6R,11S)-8-(1H-benzimidazole-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one

C17H20N4O3 — CID 164691027

IUPAC(6R,11S)-8-(1H-benzimidazole-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
SMILESO=C(c1nc2ccccc2[nH]1)N1CC[C@H](O)[C@@]2(CCCNC2=O)C1
InChIInChI=1S/C17H20N4O3/c22-13-6-9-21(10-17(13)7-3-8-18-16(17)24)15(23)14-19-11-4-1-2-5-12(11)20-14/h1-2,4-5,13,22H,3,6-10H2,(H,18,24)(H,19,20)/t13-,17+/m0/s1
InChIKeyCZARVQDXUAEAOV-SUMWQHHRSA-N
MW328.37 g/mol
LogP0.67
Rot. Bonds1

About (6R,11S)-8-(1H-benzimidazole-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one

(6R,11S)-8-(1H-benzimidazole-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one (PubChem CID 164691027) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is (6R,11S)-8-(1H-benzimidazole-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name(6R,11S)-8-(1H-benzimidazole-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
PubChem CID164691027
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name(6R,11S)-8-(1H-benzimidazole-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
SMILESO=C(c1nc2ccccc2[nH]1)N1CC[C@H](O)[C@@]2(CCCNC2=O)C1
InChIInChI=1S/C17H20N4O3/c22-13-6-9-21(10-17(13)7-3-8-18-16(17)24)15(23)14-19-11-4-1-2-5-12(11)20-14/h1-2,4-5,13,22H,3,6-10H2,(H,18,24)(H,19,20)/t13-,17+/m0/s1
InChIKeyCZARVQDXUAEAOV-SUMWQHHRSA-N
XLogP0.67
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(6R,11R)-8-(anthracene-9-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164689776
aziridin-1-yl(1H-benzimidazol-2-yl)methanone
CID 45077903
(6R,11R)-11-hydroxy-8-(4-methoxy-1H-indole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 164694211
1H-benzimidazol-2-yl(piperidin-1-yl)methanone
CID 12620216
(6R,11R)-11-hydroxy-8-[2-(1H-indol-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one
CID 163314517
(6R,11S)-11-hydroxy-8-(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 164688259
(6R,11R)-11-hydroxy-8-[4-(trifluoromethyl)benzoyl]-2,8-diazaspiro[5.5]undecan-1-one
CID 163314836
1H-benzimidazol-2-yl-[(3R)-3-phenoxypiperidin-1-yl]methanone
CID 167892131
(6R,11S)-11-hydroxy-8-(4-methoxypyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 164699891
[(4S,4aR,8aS)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-(1H-benzimidazol-2-yl)methanone
CID 59285494
(6R,11R)-11-hydroxy-8-(1-methylindole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 164695097
1-(1H-benzimidazole-2-carbonyl)-3-ethylpiperidine-3-carboxylic acid
CID 118766556

Frequently Asked Questions

What is the IUPAC name of (6R,11S)-8-(1H-benzimidazole-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one?
The IUPAC name of (6R,11S)-8-(1H-benzimidazole-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one (CID 164691027) is (6R,11S)-8-(1H-benzimidazole-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for (6R,11S)-8-(1H-benzimidazole-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for (6R,11S)-8-(1H-benzimidazole-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one is O=C(c1nc2ccccc2[nH]1)N1CC[C@H](O)[C@@]2(CCCNC2=O)C1.
What is the InChIKey of (6R,11S)-8-(1H-benzimidazole-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one?
The InChIKey is CZARVQDXUAEAOV-SUMWQHHRSA-N. The full InChI is InChI=1S/C17H20N4O3/c22-13-6-9-21(10-17(13)7-3-8-18-16(17)24)15(23)14-19-11-4-1-2-5-12(11)20-14/h1-2,4-5,13,22H,3,6-10H2,(H,18,24)(H,19,20)/t13-,17+/m0/s1.
What are the key properties of (6R,11S)-8-(1H-benzimidazole-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one?
(6R,11S)-8-(1H-benzimidazole-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one has a molecular weight of 328.37 g/mol, XLogP of 0.67, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,11S)-8-(1H-benzimidazole-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 164691027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).