(5S)-2-[3-(1H-imidazol-2-yl)benzoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one

C19H22N4O2 — CID 95189352

IUPAC(5S)-2-[3-(1H-imidazol-2-yl)benzoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCC[C@@]2(CCN(C(=O)c3cccc(-c4ncc[nH]4)c3)C2)C1=O
InChIInChI=1S/C19H22N4O2/c1-22-10-3-6-19(18(22)25)7-11-23(13-19)17(24)15-5-2-4-14(12-15)16-20-8-9-21-16/h2,4-5,8-9,12H,3,6-7,10-11,13H2,1H3,(H,20,21)/t19-/m0/s1
InChIKeyGHOITMIESXJQKE-IBGZPJMESA-N
MW338.41 g/mol
LogP2.16
Rot. Bonds2

About (5S)-2-[3-(1H-imidazol-2-yl)benzoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one

(5S)-2-[3-(1H-imidazol-2-yl)benzoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 95189352) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (5S)-2-[3-(1H-imidazol-2-yl)benzoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-2-[3-(1H-imidazol-2-yl)benzoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID95189352
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name(5S)-2-[3-(1H-imidazol-2-yl)benzoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCC[C@@]2(CCN(C(=O)c3cccc(-c4ncc[nH]4)c3)C2)C1=O
InChIInChI=1S/C19H22N4O2/c1-22-10-3-6-19(18(22)25)7-11-23(13-19)17(24)15-5-2-4-14(12-15)16-20-8-9-21-16/h2,4-5,8-9,12H,3,6-7,10-11,13H2,1H3,(H,20,21)/t19-/m0/s1
InChIKeyGHOITMIESXJQKE-IBGZPJMESA-N
XLogP2.16
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-7-methyl-2-[3-(2-oxoimidazolidin-1-yl)benzoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97115574
2-ethyl-8-[3-(1H-imidazol-2-yl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72928212
[(4R)-4-hydroxy-4-(hydroxymethyl)azepan-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone
CID 95708619
7-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-3,4-dihydro-1H-quinoxalin-2-one
CID 97132204
(5R)-2-(1,3-benzodioxole-5-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 25385054
7-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl)-4H-1,4-benzoxazin-3-one
CID 72923527
2-(4-ethenylbenzoyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 45205610
4-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]benzonitrile
CID 97139079
6-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1H-pyrimidine-2,4-dione
CID 95218005
[3-(1H-imidazol-2-yl)phenyl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 77096390
2-(1H-indazole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 45232149
7-methyl-2-(4H-thieno[3,2-b]pyrrole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 56751168

Frequently Asked Questions

What is the IUPAC name of (5S)-2-[3-(1H-imidazol-2-yl)benzoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-2-[3-(1H-imidazol-2-yl)benzoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one (CID 95189352) is (5S)-2-[3-(1H-imidazol-2-yl)benzoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-2-[3-(1H-imidazol-2-yl)benzoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-2-[3-(1H-imidazol-2-yl)benzoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one is CN1CCC[C@@]2(CCN(C(=O)c3cccc(-c4ncc[nH]4)c3)C2)C1=O.
What is the InChIKey of (5S)-2-[3-(1H-imidazol-2-yl)benzoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is GHOITMIESXJQKE-IBGZPJMESA-N. The full InChI is InChI=1S/C19H22N4O2/c1-22-10-3-6-19(18(22)25)7-11-23(13-19)17(24)15-5-2-4-14(12-15)16-20-8-9-21-16/h2,4-5,8-9,12H,3,6-7,10-11,13H2,1H3,(H,20,21)/t19-/m0/s1.
What are the key properties of (5S)-2-[3-(1H-imidazol-2-yl)benzoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
(5S)-2-[3-(1H-imidazol-2-yl)benzoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 338.41 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-[3-(1H-imidazol-2-yl)benzoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 95189352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).