2-[1-[6-[5-[(2,5-difluorophenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methylpyrimidin-4-yl]azetidin-3-yl]-1-methylbenzimidazole

C26H24F2N8 — CID 71533682

IUPAC2-[1-[6-[5-[(2,5-difluorophenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methylpyrimidin-4-yl]azetidin-3-yl]-1-methylbenzimidazole
SMILESCc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2Cc2cc(F)ccc2F)n1
InChIInChI=1S/C26H24F2N8/c1-15-29-23(35-13-18(14-35)26-32-21-6-4-5-7-22(21)34(26)3)12-25(30-15)36-24(31-16(2)33-36)11-17-10-19(27)8-9-20(17)28/h4-10,12,18H,11,13-14H2,1-3H3
InChIKeyBTLSKORSWWANTC-UHFFFAOYSA-N
MW486.53 g/mol
LogP4.03
Rot. Bonds5

About 2-[1-[6-[5-[(2,5-difluorophenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methylpyrimidin-4-yl]azetidin-3-yl]-1-methylbenzimidazole

2-[1-[6-[5-[(2,5-difluorophenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methylpyrimidin-4-yl]azetidin-3-yl]-1-methylbenzimidazole (PubChem CID 71533682) has the molecular formula C26H24F2N8 and a molecular weight of 486.53 g/mol. Its IUPAC name is 2-[1-[6-[5-[(2,5-difluorophenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methylpyrimidin-4-yl]azetidin-3-yl]-1-methylbenzimidazole.

Molecular Properties

Compound Name2-[1-[6-[5-[(2,5-difluorophenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methylpyrimidin-4-yl]azetidin-3-yl]-1-methylbenzimidazole
PubChem CID71533682
Molecular FormulaC26H24F2N8
Molecular Weight486.53 g/mol
Exact Mass486.21
IUPAC Name2-[1-[6-[5-[(2,5-difluorophenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methylpyrimidin-4-yl]azetidin-3-yl]-1-methylbenzimidazole
SMILESCc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2Cc2cc(F)ccc2F)n1
InChIInChI=1S/C26H24F2N8/c1-15-29-23(35-13-18(14-35)26-32-21-6-4-5-7-22(21)34(26)3)12-25(30-15)36-24(31-16(2)33-36)11-17-10-19(27)8-9-20(17)28/h4-10,12,18H,11,13-14H2,1-3H3
InChIKeyBTLSKORSWWANTC-UHFFFAOYSA-N
XLogP4.03
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.53
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[1-[6-[5-[(2,5-difluorophenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methylpyrimidin-4-yl]azetidin-3-yl]-1-methylbenzimidazole with MolForge

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Related Compounds

Adipiplon
CID 11198924
Pf-05180999
CID 60143346
N,3-dimethyl-11-phenyl-1,3,5,8,12-pentaazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-7-amine
CID 25263282
US10399985, Example 20
CID 118278203
US10399985, Example 19
CID 118278204
US10399985, Example 17
CID 118278237
4-(Azetidin-1-yl)-7-methyl-5-[1-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]imidazo[5,1-f][1,2,4]triazine
CID 60149170
PF-05270430
CID 68181896
3-(3,5-Dimethylpyrazol-1-yl)-5-methyl-[1,2,4]triazino[5,6-b]indole
CID 6401200
9-Methyl-2-phenethyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine
CID 11702501
8-fluoro-3-hydrazinyl-5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indole
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7-[2-(5-Methyl-1-Phenyl-1h-Benzimidazol-2-Yl)ethyl]imidazo[1,5-B]pyridazine
CID 74049854

Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-[5-[(2,5-difluorophenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methylpyrimidin-4-yl]azetidin-3-yl]-1-methylbenzimidazole?
The IUPAC name of 2-[1-[6-[5-[(2,5-difluorophenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methylpyrimidin-4-yl]azetidin-3-yl]-1-methylbenzimidazole (CID 71533682) is 2-[1-[6-[5-[(2,5-difluorophenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methylpyrimidin-4-yl]azetidin-3-yl]-1-methylbenzimidazole.
What is the SMILES notation for 2-[1-[6-[5-[(2,5-difluorophenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methylpyrimidin-4-yl]azetidin-3-yl]-1-methylbenzimidazole?
The canonical SMILES for 2-[1-[6-[5-[(2,5-difluorophenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methylpyrimidin-4-yl]azetidin-3-yl]-1-methylbenzimidazole is Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2Cc2cc(F)ccc2F)n1.
What is the InChIKey of 2-[1-[6-[5-[(2,5-difluorophenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methylpyrimidin-4-yl]azetidin-3-yl]-1-methylbenzimidazole?
The InChIKey is BTLSKORSWWANTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N8/c1-15-29-23(35-13-18(14-35)26-32-21-6-4-5-7-22(21)34(26)3)12-25(30-15)36-24(31-16(2)33-36)11-17-10-19(27)8-9-20(17)28/h4-10,12,18H,11,13-14H2,1-3H3.
What are the key properties of 2-[1-[6-[5-[(2,5-difluorophenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methylpyrimidin-4-yl]azetidin-3-yl]-1-methylbenzimidazole?
2-[1-[6-[5-[(2,5-difluorophenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methylpyrimidin-4-yl]azetidin-3-yl]-1-methylbenzimidazole has a molecular weight of 486.53 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-[5-[(2,5-difluorophenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methylpyrimidin-4-yl]azetidin-3-yl]-1-methylbenzimidazole is sourced from PubChem (CID 71533682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).