4-(4,4-difluoropiperidin-1-yl)-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazoline

C25H25F2N5 — CID 71203821

IUPAC4-(4,4-difluoropiperidin-1-yl)-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazoline
SMILESCn1cc(-c2ccccc2)nc1CCc1nc(N2CCC(F)(F)CC2)c2ccccc2n1
InChIInChI=1S/C25H25F2N5/c1-31-17-21(18-7-3-2-4-8-18)29-23(31)12-11-22-28-20-10-6-5-9-19(20)24(30-22)32-15-13-25(26,27)14-16-32/h2-10,17H,11-16H2,1H3
InChIKeyKSVVNQYQSLINGN-UHFFFAOYSA-N
MW433.51 g/mol
LogP5.05
Rot. Bonds5

About 4-(4,4-difluoropiperidin-1-yl)-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazoline

4-(4,4-difluoropiperidin-1-yl)-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazoline (PubChem CID 71203821) has the molecular formula C25H25F2N5 and a molecular weight of 433.51 g/mol. Its IUPAC name is 4-(4,4-difluoropiperidin-1-yl)-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazoline.

Molecular Properties

Compound Name4-(4,4-difluoropiperidin-1-yl)-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazoline
PubChem CID71203821
Molecular FormulaC25H25F2N5
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name4-(4,4-difluoropiperidin-1-yl)-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazoline
SMILESCn1cc(-c2ccccc2)nc1CCc1nc(N2CCC(F)(F)CC2)c2ccccc2n1
InChIInChI=1S/C25H25F2N5/c1-31-17-21(18-7-3-2-4-8-18)29-23(31)12-11-22-28-20-10-6-5-9-19(20)24(30-22)32-15-13-25(26,27)14-16-32/h2-10,17H,11-16H2,1H3
InChIKeyKSVVNQYQSLINGN-UHFFFAOYSA-N
XLogP5.05
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[2-[4-(4-fluorophenyl)-1-methylimidazol-2-yl]ethyl]quinazolin-4-yl]piperazin-2-one
CID 71203903
2,4-bis(4,4-difluoropiperidin-1-yl)quinazoline
CID 148519917
4-(4,4-difluoropiperidin-1-yl)-2-pyridin-4-ylquinazoline
CID 71296020
2-[2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-yl]-1,3-thiazole
CID 71544109
2-methyl-4-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazoline
CID 71543741
CID 89369738
CID 89369738
2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoxaline
CID 54755363
5,8-dimethyl-2-[2-(1-(111C)methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 57338723
(4-pyrrolidin-1-ylquinazolin-2-yl)methanamine
CID 68905950
4-(4-benzylpiperidin-1-yl)-2-phenylquinazoline
CID 10177767
2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-pyrazolidin-1-ylpyrazine
CID 72706532
4-[4-(bromomethylsulfonyl)piperazin-1-yl]-2-phenylquinazoline
CID 154752797

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-difluoropiperidin-1-yl)-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazoline?
The IUPAC name of 4-(4,4-difluoropiperidin-1-yl)-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazoline (CID 71203821) is 4-(4,4-difluoropiperidin-1-yl)-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazoline.
What is the SMILES notation for 4-(4,4-difluoropiperidin-1-yl)-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazoline?
The canonical SMILES for 4-(4,4-difluoropiperidin-1-yl)-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazoline is Cn1cc(-c2ccccc2)nc1CCc1nc(N2CCC(F)(F)CC2)c2ccccc2n1.
What is the InChIKey of 4-(4,4-difluoropiperidin-1-yl)-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazoline?
The InChIKey is KSVVNQYQSLINGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N5/c1-31-17-21(18-7-3-2-4-8-18)29-23(31)12-11-22-28-20-10-6-5-9-19(20)24(30-22)32-15-13-25(26,27)14-16-32/h2-10,17H,11-16H2,1H3.
What are the key properties of 4-(4,4-difluoropiperidin-1-yl)-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazoline?
4-(4,4-difluoropiperidin-1-yl)-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazoline has a molecular weight of 433.51 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-difluoropiperidin-1-yl)-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazoline is sourced from PubChem (CID 71203821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).