1'-benzyl-7-chlorospiro[1,3-dihydroimidazo[1,2-c]pyrimidine-2,4'-piperidine]-5-one

C17H19ClN4O — CID 137194123

IUPAC1'-benzyl-7-chlorospiro[1,3-dihydroimidazo[1,2-c]pyrimidine-2,4'-piperidine]-5-one
SMILESO=c1nc(Cl)cc2n1CC1(CCN(Cc3ccccc3)CC1)N2
InChIInChI=1S/C17H19ClN4O/c18-14-10-15-20-17(12-22(15)16(23)19-14)6-8-21(9-7-17)11-13-4-2-1-3-5-13/h1-5,10,20H,6-9,11-12H2
InChIKeyAWPOSFQHNUJKID-UHFFFAOYSA-N
MW330.82 g/mol
LogP2.36
Rot. Bonds2

About 1'-benzyl-7-chlorospiro[1,3-dihydroimidazo[1,2-c]pyrimidine-2,4'-piperidine]-5-one

1'-benzyl-7-chlorospiro[1,3-dihydroimidazo[1,2-c]pyrimidine-2,4'-piperidine]-5-one (PubChem CID 137194123) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is 1'-benzyl-7-chlorospiro[1,3-dihydroimidazo[1,2-c]pyrimidine-2,4'-piperidine]-5-one.

Molecular Properties

Compound Name1'-benzyl-7-chlorospiro[1,3-dihydroimidazo[1,2-c]pyrimidine-2,4'-piperidine]-5-one
PubChem CID137194123
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC Name1'-benzyl-7-chlorospiro[1,3-dihydroimidazo[1,2-c]pyrimidine-2,4'-piperidine]-5-one
SMILESO=c1nc(Cl)cc2n1CC1(CCN(Cc3ccccc3)CC1)N2
InChIInChI=1S/C17H19ClN4O/c18-14-10-15-20-17(12-22(15)16(23)19-14)6-8-21(9-7-17)11-13-4-2-1-3-5-13/h1-5,10,20H,6-9,11-12H2
InChIKeyAWPOSFQHNUJKID-UHFFFAOYSA-N
XLogP2.36
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-benzyl-1,7-diazaspiro[4.4]nonan-2-one
CID 83823846
8-benzyl-3-methyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide
CID 167345010
(3S)-1'-benzylspiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one
CID 92574801
8-benzyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 79509458
(5S)-7-benzyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 28881549
1'-benzyl-5-chlorospiro[1H-indole-3,4'-piperidine]-2-one
CID 86180111
9-benzyl-1,9-diazaspiro[5.5]undecane
CID 25212930
1-benzyl-4-[(6-chloro-2-pyridinyl)methyl]piperidin-4-ol
CID 51059263
8-[(3,4-dichlorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 166265632
2-benzyl-2,6-diazaspiro[4.5]decan-9-one
CID 22291215
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
7-benzyl-2,7-diazaspiro[3.5]nonane;ethane
CID 145233671

Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-7-chlorospiro[1,3-dihydroimidazo[1,2-c]pyrimidine-2,4'-piperidine]-5-one?
The IUPAC name of 1'-benzyl-7-chlorospiro[1,3-dihydroimidazo[1,2-c]pyrimidine-2,4'-piperidine]-5-one (CID 137194123) is 1'-benzyl-7-chlorospiro[1,3-dihydroimidazo[1,2-c]pyrimidine-2,4'-piperidine]-5-one.
What is the SMILES notation for 1'-benzyl-7-chlorospiro[1,3-dihydroimidazo[1,2-c]pyrimidine-2,4'-piperidine]-5-one?
The canonical SMILES for 1'-benzyl-7-chlorospiro[1,3-dihydroimidazo[1,2-c]pyrimidine-2,4'-piperidine]-5-one is O=c1nc(Cl)cc2n1CC1(CCN(Cc3ccccc3)CC1)N2.
What is the InChIKey of 1'-benzyl-7-chlorospiro[1,3-dihydroimidazo[1,2-c]pyrimidine-2,4'-piperidine]-5-one?
The InChIKey is AWPOSFQHNUJKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O/c18-14-10-15-20-17(12-22(15)16(23)19-14)6-8-21(9-7-17)11-13-4-2-1-3-5-13/h1-5,10,20H,6-9,11-12H2.
What are the key properties of 1'-benzyl-7-chlorospiro[1,3-dihydroimidazo[1,2-c]pyrimidine-2,4'-piperidine]-5-one?
1'-benzyl-7-chlorospiro[1,3-dihydroimidazo[1,2-c]pyrimidine-2,4'-piperidine]-5-one has a molecular weight of 330.82 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-7-chlorospiro[1,3-dihydroimidazo[1,2-c]pyrimidine-2,4'-piperidine]-5-one is sourced from PubChem (CID 137194123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).