2-(6-tert-butyl-5-fluoro-3-pyridinyl)pyrimido[1,2-a]benzimidazole;2-(4-tert-butylpiperidin-1-yl)pyrimido[1,2-a]benzimidazole;2-[6-tert-butyl-5-(trifluoromethyl)-3-pyridinyl]pyrimido[1,2-a]benzimidazole;2-methylpropane;2-piperazin-1-ylpyrimido[1,2-a]benzimidazole

C76H83F4N17 — CID 167564197

IUPAC2-(6-tert-butyl-5-fluoro-3-pyridinyl)pyrimido[1,2-a]benzimidazole;2-(4-tert-butylpiperidin-1-yl)pyrimido[1,2-a]benzimidazole;2-[6-tert-butyl-5-(trifluoromethyl)-3-pyridinyl]pyrimido[1,2-a]benzimidazole;2-methylpropane;2-piperazin-1-ylpyrimido[1,2-a]benzimidazole
SMILESCC(C)(C)C1CCN(c2ccn3c(n2)nc2ccccc23)CC1.CC(C)(C)c1ncc(-c2ccn3c(n2)nc2ccccc23)cc1C(F)(F)F.CC(C)(C)c1ncc(-c2ccn3c(n2)nc2ccccc23)cc1F.CC(C)C.c1ccc2c(c1)nc1nc(N3CCNCC3)ccn12
InChIInChI=1S/C20H17F3N4.C19H17FN4.C19H24N4.C14H15N5.C4H10/c1-19(2,3)17-13(20(21,22)23)10-12(11-24-17)14-8-9-27-16-7-5-4-6-15(16)26-18(27)25-14;1-19(2,3)17-13(20)10-12(11-21-17)14-8-9-24-16-7-5-4-6-15(16)23-18(24)22-14;1-19(2,3)14-8-11-22(12-9-14)17-10-13-23-16-7-5-4-6-15(16)20-18(23)21-17;1-2-4-12-11(3-1)16-14-17-13(5-8-19(12)14)18-9-6-15-7-10-18;1-4(2)3/h4-11H,1-3H3;4-11H,1-3H3;4-7,10,13-14H,8-9,11-12H2,1-3H3;1-5,8,15H,6-7,9-10H2;4H,1-3H3
InChIKeyFBHUYAKRWAAXCU-UHFFFAOYSA-N
MW1310.61 g/mol
LogP16.74
Rot. Bonds4

About 2-(6-tert-butyl-5-fluoro-3-pyridinyl)pyrimido[1,2-a]benzimidazole;2-(4-tert-butylpiperidin-1-yl)pyrimido[1,2-a]benzimidazole;2-[6-tert-butyl-5-(trifluoromethyl)-3-pyridinyl]pyrimido[1,2-a]benzimidazole;2-methylpropane;2-piperazin-1-ylpyrimido[1,2-a]benzimidazole

2-(6-tert-butyl-5-fluoro-3-pyridinyl)pyrimido[1,2-a]benzimidazole;2-(4-tert-butylpiperidin-1-yl)pyrimido[1,2-a]benzimidazole;2-[6-tert-butyl-5-(trifluoromethyl)-3-pyridinyl]pyrimido[1,2-a]benzimidazole;2-methylpropane;2-piperazin-1-ylpyrimido[1,2-a]benzimidazole (PubChem CID 167564197) has the molecular formula C76H83F4N17 and a molecular weight of 1310.61 g/mol. Its IUPAC name is 2-(6-tert-butyl-5-fluoro-3-pyridinyl)pyrimido[1,2-a]benzimidazole;2-(4-tert-butylpiperidin-1-yl)pyrimido[1,2-a]benzimidazole;2-[6-tert-butyl-5-(trifluoromethyl)-3-pyridinyl]pyrimido[1,2-a]benzimidazole;2-methylpropane;2-piperazin-1-ylpyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-(6-tert-butyl-5-fluoro-3-pyridinyl)pyrimido[1,2-a]benzimidazole;2-(4-tert-butylpiperidin-1-yl)pyrimido[1,2-a]benzimidazole;2-[6-tert-butyl-5-(trifluoromethyl)-3-pyridinyl]pyrimido[1,2-a]benzimidazole;2-methylpropane;2-piperazin-1-ylpyrimido[1,2-a]benzimidazole
PubChem CID167564197
Molecular FormulaC76H83F4N17
Molecular Weight1310.61 g/mol
Exact Mass1309.70
IUPAC Name2-(6-tert-butyl-5-fluoro-3-pyridinyl)pyrimido[1,2-a]benzimidazole;2-(4-tert-butylpiperidin-1-yl)pyrimido[1,2-a]benzimidazole;2-[6-tert-butyl-5-(trifluoromethyl)-3-pyridinyl]pyrimido[1,2-a]benzimidazole;2-methylpropane;2-piperazin-1-ylpyrimido[1,2-a]benzimidazole
SMILESCC(C)(C)C1CCN(c2ccn3c(n2)nc2ccccc23)CC1.CC(C)(C)c1ncc(-c2ccn3c(n2)nc2ccccc23)cc1C(F)(F)F.CC(C)(C)c1ncc(-c2ccn3c(n2)nc2ccccc23)cc1F.CC(C)C.c1ccc2c(c1)nc1nc(N3CCNCC3)ccn12
InChIInChI=1S/C20H17F3N4.C19H17FN4.C19H24N4.C14H15N5.C4H10/c1-19(2,3)17-13(20(21,22)23)10-12(11-24-17)14-8-9-27-16-7-5-4-6-15(16)26-18(27)25-14;1-19(2,3)17-13(20)10-12(11-21-17)14-8-9-24-16-7-5-4-6-15(16)23-18(24)22-14;1-19(2,3)14-8-11-22(12-9-14)17-10-13-23-16-7-5-4-6-15(16)20-18(23)21-17;1-2-4-12-11(3-1)16-14-17-13(5-8-19(12)14)18-9-6-15-7-10-18;1-4(2)3/h4-11H,1-3H3;4-11H,1-3H3;4-7,10,13-14H,8-9,11-12H2,1-3H3;1-5,8,15H,6-7,9-10H2;4H,1-3H3
InChIKeyFBHUYAKRWAAXCU-UHFFFAOYSA-N
XLogP16.74
TPSA165.05 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds4
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001310.61
LogP ≤ 516.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Analyze 2-(6-tert-butyl-5-fluoro-3-pyridinyl)pyrimido[1,2-a]benzimidazole;2-(4-tert-butylpiperidin-1-yl)pyrimido[1,2-a]benzimidazole;2-[6-tert-butyl-5-(trifluoromethyl)-3-pyridinyl]pyrimido[1,2-a]benzimidazole;2-methylpropane;2-piperazin-1-ylpyrimido[1,2-a]benzimidazole with MolForge

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Related Compounds

6-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-8-methyl-N-(pyridin-2-ylmethyl)-3,5,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-13-amine
CID 11214464
N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoro-4-(5-fluoro-2,2-dimethyl-1,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine
CID 129102571
4-(2-ethyl-5-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoropyrimidin-2-amine
CID 129102582
N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoro-4-(6-fluoro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-8-yl)pyrimidin-2-amine
CID 129102640
Tibremciclib
CID 146277756
8-(4,4-dimethylcyclohexyl)-N-[5-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-pyridinyl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58299684
8-(1-adamantyl)-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58300092
6-{4-[4-(4-Fluoro-3-trifluoromethyl-phenyl)-1-methyl-1H-imidazol-2-yl]-piperidin-1-yl}-5-(6-piperazin-1-yl-pyridin-3-yl)-pyrimidin-4-ylamine
CID 89442794
US11053238, Example 2
CID 135181567
US11053238, Com. EX. No. 7
CID 135181568
5-fluoro-4-(6-fluoro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-8-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine
CID 135181734
US11053238, Com. EX. No. 8
CID 135181815

Frequently Asked Questions

What is the IUPAC name of 2-(6-tert-butyl-5-fluoro-3-pyridinyl)pyrimido[1,2-a]benzimidazole;2-(4-tert-butylpiperidin-1-yl)pyrimido[1,2-a]benzimidazole;2-[6-tert-butyl-5-(trifluoromethyl)-3-pyridinyl]pyrimido[1,2-a]benzimidazole;2-methylpropane;2-piperazin-1-ylpyrimido[1,2-a]benzimidazole?
The IUPAC name of 2-(6-tert-butyl-5-fluoro-3-pyridinyl)pyrimido[1,2-a]benzimidazole;2-(4-tert-butylpiperidin-1-yl)pyrimido[1,2-a]benzimidazole;2-[6-tert-butyl-5-(trifluoromethyl)-3-pyridinyl]pyrimido[1,2-a]benzimidazole;2-methylpropane;2-piperazin-1-ylpyrimido[1,2-a]benzimidazole (CID 167564197) is 2-(6-tert-butyl-5-fluoro-3-pyridinyl)pyrimido[1,2-a]benzimidazole;2-(4-tert-butylpiperidin-1-yl)pyrimido[1,2-a]benzimidazole;2-[6-tert-butyl-5-(trifluoromethyl)-3-pyridinyl]pyrimido[1,2-a]benzimidazole;2-methylpropane;2-piperazin-1-ylpyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 2-(6-tert-butyl-5-fluoro-3-pyridinyl)pyrimido[1,2-a]benzimidazole;2-(4-tert-butylpiperidin-1-yl)pyrimido[1,2-a]benzimidazole;2-[6-tert-butyl-5-(trifluoromethyl)-3-pyridinyl]pyrimido[1,2-a]benzimidazole;2-methylpropane;2-piperazin-1-ylpyrimido[1,2-a]benzimidazole?
The canonical SMILES for 2-(6-tert-butyl-5-fluoro-3-pyridinyl)pyrimido[1,2-a]benzimidazole;2-(4-tert-butylpiperidin-1-yl)pyrimido[1,2-a]benzimidazole;2-[6-tert-butyl-5-(trifluoromethyl)-3-pyridinyl]pyrimido[1,2-a]benzimidazole;2-methylpropane;2-piperazin-1-ylpyrimido[1,2-a]benzimidazole is CC(C)(C)C1CCN(c2ccn3c(n2)nc2ccccc23)CC1.CC(C)(C)c1ncc(-c2ccn3c(n2)nc2ccccc23)cc1C(F)(F)F.CC(C)(C)c1ncc(-c2ccn3c(n2)nc2ccccc23)cc1F.CC(C)C.c1ccc2c(c1)nc1nc(N3CCNCC3)ccn12.
What is the InChIKey of 2-(6-tert-butyl-5-fluoro-3-pyridinyl)pyrimido[1,2-a]benzimidazole;2-(4-tert-butylpiperidin-1-yl)pyrimido[1,2-a]benzimidazole;2-[6-tert-butyl-5-(trifluoromethyl)-3-pyridinyl]pyrimido[1,2-a]benzimidazole;2-methylpropane;2-piperazin-1-ylpyrimido[1,2-a]benzimidazole?
The InChIKey is FBHUYAKRWAAXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4.C19H17FN4.C19H24N4.C14H15N5.C4H10/c1-19(2,3)17-13(20(21,22)23)10-12(11-24-17)14-8-9-27-16-7-5-4-6-15(16)26-18(27)25-14;1-19(2,3)17-13(20)10-12(11-21-17)14-8-9-24-16-7-5-4-6-15(16)23-18(24)22-14;1-19(2,3)14-8-11-22(12-9-14)17-10-13-23-16-7-5-4-6-15(16)20-18(23)21-17;1-2-4-12-11(3-1)16-14-17-13(5-8-19(12)14)18-9-6-15-7-10-18;1-4(2)3/h4-11H,1-3H3;4-11H,1-3H3;4-7,10,13-14H,8-9,11-12H2,1-3H3;1-5,8,15H,6-7,9-10H2;4H,1-3H3.
What are the key properties of 2-(6-tert-butyl-5-fluoro-3-pyridinyl)pyrimido[1,2-a]benzimidazole;2-(4-tert-butylpiperidin-1-yl)pyrimido[1,2-a]benzimidazole;2-[6-tert-butyl-5-(trifluoromethyl)-3-pyridinyl]pyrimido[1,2-a]benzimidazole;2-methylpropane;2-piperazin-1-ylpyrimido[1,2-a]benzimidazole?
2-(6-tert-butyl-5-fluoro-3-pyridinyl)pyrimido[1,2-a]benzimidazole;2-(4-tert-butylpiperidin-1-yl)pyrimido[1,2-a]benzimidazole;2-[6-tert-butyl-5-(trifluoromethyl)-3-pyridinyl]pyrimido[1,2-a]benzimidazole;2-methylpropane;2-piperazin-1-ylpyrimido[1,2-a]benzimidazole has a molecular weight of 1310.61 g/mol, XLogP of 16.74, 4 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-tert-butyl-5-fluoro-3-pyridinyl)pyrimido[1,2-a]benzimidazole;2-(4-tert-butylpiperidin-1-yl)pyrimido[1,2-a]benzimidazole;2-[6-tert-butyl-5-(trifluoromethyl)-3-pyridinyl]pyrimido[1,2-a]benzimidazole;2-methylpropane;2-piperazin-1-ylpyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 167564197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).