2-[4-(4-butyltriazol-1-yl)phenyl]-3-(4-methylphenyl)imidazo[1,2-a]pyrimidine

C25H24N6 — CID 51050563

IUPAC2-[4-(4-butyltriazol-1-yl)phenyl]-3-(4-methylphenyl)imidazo[1,2-a]pyrimidine
SMILESCCCCc1cn(-c2ccc(-c3nc4ncccn4c3-c3ccc(C)cc3)cc2)nn1
InChIInChI=1S/C25H24N6/c1-3-4-6-21-17-31(29-28-21)22-13-11-19(12-14-22)23-24(20-9-7-18(2)8-10-20)30-16-5-15-26-25(30)27-23/h5,7-17H,3-4,6H2,1-2H3
InChIKeyNTJWKDUDGOWHKB-UHFFFAOYSA-N
MW408.51 g/mol
LogP5.30
Rot. Bonds6

About 2-[4-(4-butyltriazol-1-yl)phenyl]-3-(4-methylphenyl)imidazo[1,2-a]pyrimidine

2-[4-(4-butyltriazol-1-yl)phenyl]-3-(4-methylphenyl)imidazo[1,2-a]pyrimidine (PubChem CID 51050563) has the molecular formula C25H24N6 and a molecular weight of 408.51 g/mol. Its IUPAC name is 2-[4-(4-butyltriazol-1-yl)phenyl]-3-(4-methylphenyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-[4-(4-butyltriazol-1-yl)phenyl]-3-(4-methylphenyl)imidazo[1,2-a]pyrimidine
PubChem CID51050563
Molecular FormulaC25H24N6
Molecular Weight408.51 g/mol
Exact Mass408.21
IUPAC Name2-[4-(4-butyltriazol-1-yl)phenyl]-3-(4-methylphenyl)imidazo[1,2-a]pyrimidine
SMILESCCCCc1cn(-c2ccc(-c3nc4ncccn4c3-c3ccc(C)cc3)cc2)nn1
InChIInChI=1S/C25H24N6/c1-3-4-6-21-17-31(29-28-21)22-13-11-19(12-14-22)23-24(20-9-7-18(2)8-10-20)30-16-5-15-26-25(30)27-23/h5,7-17H,3-4,6H2,1-2H3
InChIKeyNTJWKDUDGOWHKB-UHFFFAOYSA-N
XLogP5.30
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.51
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-hexyl-1-(4-methylphenyl)triazole
CID 102278184
3-(4-fluorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrimidine
CID 69375800
4-butyl-1-phenyltriazole
CID 25191665
2,5-bis[4-(4-butyltriazol-1-yl)phenyl]-1,3,4-oxadiazole
CID 164907754
2-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]ethanamine
CID 82298177
2-methyl-3-(4-methylphenyl)imidazo[1,2-a]pyrimidine
CID 71059779
3-phenyl-2-(4-propylsulfanylphenyl)imidazo[1,2-a]pyrimidine
CID 69378756
4-(4-pentyltriazol-1-yl)phenol
CID 122501204
2-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]acetic acid
CID 82304788
3-(4-bromophenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine
CID 69375756
1-(4-methylphenyl)-4-[[4-(1,4,5-triphenylimidazol-2-yl)phenoxy]methyl]triazole
CID 133064314
2-(4-methoxyphenyl)-3-(4-propylsulfonylphenyl)imidazo[1,2-a]pyrimidine
CID 69378441

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-butyltriazol-1-yl)phenyl]-3-(4-methylphenyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-[4-(4-butyltriazol-1-yl)phenyl]-3-(4-methylphenyl)imidazo[1,2-a]pyrimidine (CID 51050563) is 2-[4-(4-butyltriazol-1-yl)phenyl]-3-(4-methylphenyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-[4-(4-butyltriazol-1-yl)phenyl]-3-(4-methylphenyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-[4-(4-butyltriazol-1-yl)phenyl]-3-(4-methylphenyl)imidazo[1,2-a]pyrimidine is CCCCc1cn(-c2ccc(-c3nc4ncccn4c3-c3ccc(C)cc3)cc2)nn1.
What is the InChIKey of 2-[4-(4-butyltriazol-1-yl)phenyl]-3-(4-methylphenyl)imidazo[1,2-a]pyrimidine?
The InChIKey is NTJWKDUDGOWHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6/c1-3-4-6-21-17-31(29-28-21)22-13-11-19(12-14-22)23-24(20-9-7-18(2)8-10-20)30-16-5-15-26-25(30)27-23/h5,7-17H,3-4,6H2,1-2H3.
What are the key properties of 2-[4-(4-butyltriazol-1-yl)phenyl]-3-(4-methylphenyl)imidazo[1,2-a]pyrimidine?
2-[4-(4-butyltriazol-1-yl)phenyl]-3-(4-methylphenyl)imidazo[1,2-a]pyrimidine has a molecular weight of 408.51 g/mol, XLogP of 5.30, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-butyltriazol-1-yl)phenyl]-3-(4-methylphenyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 51050563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).