(5-methyl-2-phenyl-1H-imidazol-4-yl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone

C23H25N5O — CID 135116258

IUPAC(5-methyl-2-phenyl-1H-imidazol-4-yl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
SMILESCc1ncc2c(n1)C1(CCCN(C(=O)c3nc(-c4ccccc4)[nH]c3C)C1)CC2
InChIInChI=1S/C23H25N5O/c1-15-19(27-21(25-15)17-7-4-3-5-8-17)22(29)28-12-6-10-23(14-28)11-9-18-13-24-16(2)26-20(18)23/h3-5,7-8,13H,6,9-12,14H2,1-2H3,(H,25,27)
InChIKeyBPNSQIYISXDDMU-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.60
Rot. Bonds2

About (5-methyl-2-phenyl-1H-imidazol-4-yl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone

(5-methyl-2-phenyl-1H-imidazol-4-yl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone (PubChem CID 135116258) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is (5-methyl-2-phenyl-1H-imidazol-4-yl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name(5-methyl-2-phenyl-1H-imidazol-4-yl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
PubChem CID135116258
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name(5-methyl-2-phenyl-1H-imidazol-4-yl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
SMILESCc1ncc2c(n1)C1(CCCN(C(=O)c3nc(-c4ccccc4)[nH]c3C)C1)CC2
InChIInChI=1S/C23H25N5O/c1-15-19(27-21(25-15)17-7-4-3-5-8-17)22(29)28-12-6-10-23(14-28)11-9-18-13-24-16(2)26-20(18)23/h3-5,7-8,13H,6,9-12,14H2,1-2H3,(H,25,27)
InChIKeyBPNSQIYISXDDMU-UHFFFAOYSA-N
XLogP3.60
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methyl-2-phenyl-1H-imidazol-4-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone
CID 138806015
(2-ethylphenyl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 135118382
(4-chloro-1-methylpyrazol-3-yl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 163314676
5-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-2-phenyl-1H-pyrazol-3-one
CID 135103992
(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone
CID 163314951
3-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)benzonitrile
CID 163311891
3-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 135094831
[2-(1-methylimidazol-2-yl)phenyl]-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 135115875
(6-amino-3-pyridinyl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 163309459
(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1,3-thiazol-4-yl)methanone
CID 135088689
2-(5-methyl-2-phenyl-1H-imidazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72926019
(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(5-methyl-3-phenyl-1H-pyrazol-4-yl)methanone
CID 163318915

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-phenyl-1H-imidazol-4-yl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone?
The IUPAC name of (5-methyl-2-phenyl-1H-imidazol-4-yl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone (CID 135116258) is (5-methyl-2-phenyl-1H-imidazol-4-yl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone.
What is the SMILES notation for (5-methyl-2-phenyl-1H-imidazol-4-yl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone?
The canonical SMILES for (5-methyl-2-phenyl-1H-imidazol-4-yl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone is Cc1ncc2c(n1)C1(CCCN(C(=O)c3nc(-c4ccccc4)[nH]c3C)C1)CC2.
What is the InChIKey of (5-methyl-2-phenyl-1H-imidazol-4-yl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone?
The InChIKey is BPNSQIYISXDDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-15-19(27-21(25-15)17-7-4-3-5-8-17)22(29)28-12-6-10-23(14-28)11-9-18-13-24-16(2)26-20(18)23/h3-5,7-8,13H,6,9-12,14H2,1-2H3,(H,25,27).
What are the key properties of (5-methyl-2-phenyl-1H-imidazol-4-yl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone?
(5-methyl-2-phenyl-1H-imidazol-4-yl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone has a molecular weight of 387.49 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-phenyl-1H-imidazol-4-yl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 135116258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).