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-3-pyridinyl)-7,8-difluoropyrimido[1,2-a]benzimidazole;2-(6-tert-butyl-3-pyridinyl)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

C114H117F6N25 — CID 167543321

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-3-pyridinyl)-7,8-difluoropyrimido[1,2-a]benzimidazole;2-(6-tert-butyl-3-pyridinyl)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)c1ccc(-c2ccn3c(n2)nc2cc(F)c(F)cc23)cn1.CC(C)(C)c1ccc(-c2ccn3c(n2)nc2ccccc23)cn1.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.C19H16F2N4.C19H17FN4.C19H24N4.C19H18N4.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)17-5-4-11(10-22-17)14-6-7-25-16-9-13(21)12(20)8-15(16)24-18(25)23-14;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;1-19(2,3)17-9-8-13(12-20-17)14-10-11-23-16-7-5-4-6-15(16)22-18(23)21-14;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;4-10H,1-3H3;4-11H,1-3H3;4-7,10,13-14H,8-9,11-12H2,1-3H3;4-12H,1-3H3;1-5,8,15H,6-7,9-10H2;4H,1-3H3
InChIKeyBLZNNQRBBIILAY-UHFFFAOYSA-N
MW1951.35 g/mol
LogP25.50
Rot. Bonds6

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-3-pyridinyl)-7,8-difluoropyrimido[1,2-a]benzimidazole;2-(6-tert-butyl-3-pyridinyl)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-3-pyridinyl)-7,8-difluoropyrimido[1,2-a]benzimidazole;2-(6-tert-butyl-3-pyridinyl)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 167543321) has the molecular formula C114H117F6N25 and a molecular weight of 1951.35 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-3-pyridinyl)-7,8-difluoropyrimido[1,2-a]benzimidazole;2-(6-tert-butyl-3-pyridinyl)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-3-pyridinyl)-7,8-difluoropyrimido[1,2-a]benzimidazole;2-(6-tert-butyl-3-pyridinyl)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 CID167543321
Molecular FormulaC114H117F6N25
Molecular Weight1951.35 g/mol
Exact Mass1949.98
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-3-pyridinyl)-7,8-difluoropyrimido[1,2-a]benzimidazole;2-(6-tert-butyl-3-pyridinyl)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)c1ccc(-c2ccn3c(n2)nc2cc(F)c(F)cc23)cn1.CC(C)(C)c1ccc(-c2ccn3c(n2)nc2ccccc23)cn1.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.C19H16F2N4.C19H17FN4.C19H24N4.C19H18N4.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)17-5-4-11(10-22-17)14-6-7-25-16-9-13(21)12(20)8-15(16)24-18(25)23-14;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;1-19(2,3)17-9-8-13(12-20-17)14-10-11-23-16-7-5-4-6-15(16)22-18(23)21-14;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;4-10H,1-3H3;4-11H,1-3H3;4-7,10,13-14H,8-9,11-12H2,1-3H3;4-12H,1-3H3;1-5,8,15H,6-7,9-10H2;4H,1-3H3
InChIKeyBLZNNQRBBIILAY-UHFFFAOYSA-N
XLogP25.50
TPSA251.21 Ų
H-Bond Donors1
H-Bond Acceptors25
Rotatable Bonds6
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001951.35
LogP ≤ 525.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1025

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-3-pyridinyl)-7,8-difluoropyrimido[1,2-a]benzimidazole;2-(6-tert-butyl-3-pyridinyl)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

1-[3-(Diethylamino)propylamino]-3-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]benzimidazole-4-carbonitrile; 3-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 71591157
1-(2-Diethylaminoethylamino)-3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]benzimidazole-4-carbonitrile; 3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 71591193
1-[3-(Diethylamino)propylamino]-3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]benzimidazole-4-carbonitrile; 3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 71591292
1-[3-(Dimethylamino)propylamino]-3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]benzimidazole-4-carbonitrile; 3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 71591394
1-[3-(Dimethylamino)propylamino]-3-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]benzimidazole-4-carbonitrile; 3-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 71591395
[Fe(TpCF3PP)(NO)(1-MeIm)]
CID 139115160
N-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-1-(imidazo[1,2-a]pyridin-2-ylmethyl)benzimidazol-2-amine
CID 9916520
3-(2,3,4,5,6-pentafluorophenyl)-2-[3-[3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridin-2-yl]-5-[3-(2,3,4,5,6-pentafluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridine
CID 58803469
N,N'-bis[[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl]-N,N'-dimethylmethanediamine
CID 58824369
5-fluoro-6-[(2R,5S)-5-[6-fluoro-2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1-[2-(4-phenylpiperidin-1-yl)pyrimidin-5-yl]pyrrolidin-2-yl]-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 66630198
5-fluoro-6-[(2R,5S)-5-[6-fluoro-2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1-(2-piperidin-1-ylpyrimidin-5-yl)pyrrolidin-2-yl]-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 66630659
6-[(2R,5R)-1-[3,5-difluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]-5-[6-fluoro-2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-5-fluoro-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 66630776

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-3-pyridinyl)-7,8-difluoropyrimido[1,2-a]benzimidazole;2-(6-tert-butyl-3-pyridinyl)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-3-pyridinyl)-7,8-difluoropyrimido[1,2-a]benzimidazole;2-(6-tert-butyl-3-pyridinyl)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 167543321) 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-3-pyridinyl)-7,8-difluoropyrimido[1,2-a]benzimidazole;2-(6-tert-butyl-3-pyridinyl)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-3-pyridinyl)-7,8-difluoropyrimido[1,2-a]benzimidazole;2-(6-tert-butyl-3-pyridinyl)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-3-pyridinyl)-7,8-difluoropyrimido[1,2-a]benzimidazole;2-(6-tert-butyl-3-pyridinyl)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)c1ccc(-c2ccn3c(n2)nc2cc(F)c(F)cc23)cn1.CC(C)(C)c1ccc(-c2ccn3c(n2)nc2ccccc23)cn1.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-3-pyridinyl)-7,8-difluoropyrimido[1,2-a]benzimidazole;2-(6-tert-butyl-3-pyridinyl)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 BLZNNQRBBIILAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4.C19H16F2N4.C19H17FN4.C19H24N4.C19H18N4.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)17-5-4-11(10-22-17)14-6-7-25-16-9-13(21)12(20)8-15(16)24-18(25)23-14;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;1-19(2,3)17-9-8-13(12-20-17)14-10-11-23-16-7-5-4-6-15(16)22-18(23)21-14;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;4-10H,1-3H3;4-11H,1-3H3;4-7,10,13-14H,8-9,11-12H2,1-3H3;4-12H,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-3-pyridinyl)-7,8-difluoropyrimido[1,2-a]benzimidazole;2-(6-tert-butyl-3-pyridinyl)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-3-pyridinyl)-7,8-difluoropyrimido[1,2-a]benzimidazole;2-(6-tert-butyl-3-pyridinyl)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 1951.35 g/mol, XLogP of 25.50, 6 rotatable bonds, 1 hydrogen bond donors, and 25 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-3-pyridinyl)-7,8-difluoropyrimido[1,2-a]benzimidazole;2-(6-tert-butyl-3-pyridinyl)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 167543321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).