5-[[3-[5-fluoro-8-[methyl(propan-2-yl)amino]-1,11,15-triaza-9λ4-osmatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,9,12(17),13,15-octaen-11-yl]piperidin-1-yl]methyl]-1,3-dihydrobenzimidazol-2-one

C30H32FN7OOs — CID 142307187

IUPAC5-[[3-[5-fluoro-8-[methyl(propan-2-yl)amino]-1,11,15-triaza-9λ4-osmatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,9,12(17),13,15-octaen-11-yl]piperidin-1-yl]methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(C)N(C)C1=[Os]=C2N(c3ccc(F)cc31)c1cnccc1N2C1CCCN(Cc2ccc3[nH]c(=O)[nH]c3c2)C1
InChIInChI=1S/C30H32FN7O.Os/c1-20(2)35(3)17-22-14-23(31)7-9-27(22)38-19-37(28-10-11-32-15-29(28)38)24-5-4-12-36(18-24)16-21-6-8-25-26(13-21)34-30(39)33-25;/h6-11,13-15,20,24H,4-5,12,16,18H2,1-3H3,(H2,33,34,39);
InChIKeyGKOOQSNZZKTEGA-UHFFFAOYSA-N
MW715.86 g/mol
LogP4.01
Rot. Bonds5

About 5-[[3-[5-fluoro-8-[methyl(propan-2-yl)amino]-1,11,15-triaza-9λ4-osmatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,9,12(17),13,15-octaen-11-yl]piperidin-1-yl]methyl]-1,3-dihydrobenzimidazol-2-one

5-[[3-[5-fluoro-8-[methyl(propan-2-yl)amino]-1,11,15-triaza-9λ4-osmatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,9,12(17),13,15-octaen-11-yl]piperidin-1-yl]methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 142307187) has the molecular formula C30H32FN7OOs and a molecular weight of 715.86 g/mol. Its IUPAC name is 5-[[3-[5-fluoro-8-[methyl(propan-2-yl)amino]-1,11,15-triaza-9λ4-osmatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,9,12(17),13,15-octaen-11-yl]piperidin-1-yl]methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[[3-[5-fluoro-8-[methyl(propan-2-yl)amino]-1,11,15-triaza-9λ4-osmatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,9,12(17),13,15-octaen-11-yl]piperidin-1-yl]methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID142307187
Molecular FormulaC30H32FN7OOs
Molecular Weight715.86 g/mol
Exact Mass717.23
IUPAC Name5-[[3-[5-fluoro-8-[methyl(propan-2-yl)amino]-1,11,15-triaza-9λ4-osmatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,9,12(17),13,15-octaen-11-yl]piperidin-1-yl]methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(C)N(C)C1=[Os]=C2N(c3ccc(F)cc31)c1cnccc1N2C1CCCN(Cc2ccc3[nH]c(=O)[nH]c3c2)C1
InChIInChI=1S/C30H32FN7O.Os/c1-20(2)35(3)17-22-14-23(31)7-9-27(22)38-19-37(28-10-11-32-15-29(28)38)24-5-4-12-36(18-24)16-21-6-8-25-26(13-21)34-30(39)33-25;/h6-11,13-15,20,24H,4-5,12,16,18H2,1-3H3,(H2,33,34,39);
InChIKeyGKOOQSNZZKTEGA-UHFFFAOYSA-N
XLogP4.01
TPSA74.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500715.86
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[3-[5-fluoro-8-[methyl(propan-2-yl)amino]-1,11,15-triaza-9λ4-osmatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,9,12(17),13,15-octaen-11-yl]piperidin-1-yl]methyl]-1,3-dihydrobenzimidazol-2-one with MolForge

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Related Compounds

5-fluoro-N-methyl-2-[1-[1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]piperidin-3-yl]-2-sulfanylideneimidazo[4,5-c]pyridin-3-yl]-N-propan-2-ylbenzamide
CID 134347735
5-fluoro-N-methyl-2-[2-oxo-1-[1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]piperidin-4-yl]imidazo[4,5-c]pyridin-3-yl]-N-propan-2-ylbenzamide
CID 134347697
N-ethyl-5-fluoro-2-[3-[(3S)-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]piperidin-3-yl]pyrrolo[2,3-c]pyridin-1-yl]-N-propan-2-ylbenzamide
CID 134347721
N-ethyl-5-fluoro-2-[3-[(3R)-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]piperidin-3-yl]pyrrolo[2,3-c]pyridin-1-yl]-N-propan-2-ylbenzamide
CID 134347791
5-fluoro-N-methyl-2-[3-[1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyrrolidin-3-yl]pyrrolo[2,3-c]pyridin-1-yl]-N-propan-2-ylbenzamide
CID 134347799
2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine
CID 95823928
5-[[3-(2-aminoethyl)piperidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride
CID 120846227
2-[(3R)-1-(1H-indazol-6-ylmethyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one
CID 129324949
(1R)-1-[(3S)-1-(1H-indazol-6-ylmethyl)piperidin-3-yl]ethanol
CID 99640635
5-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 110411418
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)-6-fluoro-1H-quinolin-4-one
CID 156604880
5-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride
CID 120841116

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[5-fluoro-8-[methyl(propan-2-yl)amino]-1,11,15-triaza-9λ4-osmatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,9,12(17),13,15-octaen-11-yl]piperidin-1-yl]methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[[3-[5-fluoro-8-[methyl(propan-2-yl)amino]-1,11,15-triaza-9λ4-osmatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,9,12(17),13,15-octaen-11-yl]piperidin-1-yl]methyl]-1,3-dihydrobenzimidazol-2-one (CID 142307187) is 5-[[3-[5-fluoro-8-[methyl(propan-2-yl)amino]-1,11,15-triaza-9λ4-osmatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,9,12(17),13,15-octaen-11-yl]piperidin-1-yl]methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[[3-[5-fluoro-8-[methyl(propan-2-yl)amino]-1,11,15-triaza-9λ4-osmatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,9,12(17),13,15-octaen-11-yl]piperidin-1-yl]methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[[3-[5-fluoro-8-[methyl(propan-2-yl)amino]-1,11,15-triaza-9λ4-osmatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,9,12(17),13,15-octaen-11-yl]piperidin-1-yl]methyl]-1,3-dihydrobenzimidazol-2-one is CC(C)N(C)C1=[Os]=C2N(c3ccc(F)cc31)c1cnccc1N2C1CCCN(Cc2ccc3[nH]c(=O)[nH]c3c2)C1.
What is the InChIKey of 5-[[3-[5-fluoro-8-[methyl(propan-2-yl)amino]-1,11,15-triaza-9λ4-osmatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,9,12(17),13,15-octaen-11-yl]piperidin-1-yl]methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is GKOOQSNZZKTEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN7O.Os/c1-20(2)35(3)17-22-14-23(31)7-9-27(22)38-19-37(28-10-11-32-15-29(28)38)24-5-4-12-36(18-24)16-21-6-8-25-26(13-21)34-30(39)33-25;/h6-11,13-15,20,24H,4-5,12,16,18H2,1-3H3,(H2,33,34,39);.
What are the key properties of 5-[[3-[5-fluoro-8-[methyl(propan-2-yl)amino]-1,11,15-triaza-9λ4-osmatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,9,12(17),13,15-octaen-11-yl]piperidin-1-yl]methyl]-1,3-dihydrobenzimidazol-2-one?
5-[[3-[5-fluoro-8-[methyl(propan-2-yl)amino]-1,11,15-triaza-9λ4-osmatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,9,12(17),13,15-octaen-11-yl]piperidin-1-yl]methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 715.86 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[5-fluoro-8-[methyl(propan-2-yl)amino]-1,11,15-triaza-9λ4-osmatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,9,12(17),13,15-octaen-11-yl]piperidin-1-yl]methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 142307187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).