4-(2-cyclopropylphenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dihydrobenzimidazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[hydroxy-bis(6-methyl-2-pyridinyl)methyl]-1,3-dihydrobenzimidazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[hydroxy(dipyridin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(4,4,4-trifluoro-1-hydroxy-1-pyridin-2-ylbutyl)-1,3-dihydrobenzimidazol-2-one

C90H80F3N17O11 — CID 157369427

IUPAC4-(2-cyclopropylphenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dihydrobenzimidazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[hydroxy-bis(6-methyl-2-pyridinyl)methyl]-1,3-dihydrobenzimidazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[hydroxy(dipyridin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(4,4,4-trifluoro-1-hydroxy-1-pyridin-2-ylbutyl)-1,3-dihydrobenzimidazol-2-one
SMILESCc1cccc(C(O)(c2cccc(C)n2)c2cc(-c3c(C)noc3C)cc3[nH]c(=O)[nH]c23)n1.Cc1noc(C)c1-c1cc(-c2ccccc2C2CC2)c2[nH]c(=O)[nH]c2c1.Cc1noc(C)c1-c1cc(C(O)(CCC(F)(F)F)c2ccccn2)c2[nH]c(=O)[nH]c2c1.Cc1noc(C)c1-c1cc(C(O)(c2ccccn2)c2ccccn2)c2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C25H23N5O3.C23H19N5O3.C21H19F3N4O3.C21H19N3O2/c1-13-7-5-9-20(26-13)25(32,21-10-6-8-14(2)27-21)18-11-17(22-15(3)30-33-16(22)4)12-19-23(18)29-24(31)28-19;1-13-20(14(2)31-28-13)15-11-16(21-17(12-15)26-22(29)27-21)23(30,18-7-3-5-9-24-18)19-8-4-6-10-25-19;1-11-17(12(2)31-28-11)13-9-14(18-15(10-13)26-19(29)27-18)20(30,6-7-21(22,23)24)16-5-3-4-8-25-16;1-11-19(12(2)26-24-11)14-9-17(20-18(10-14)22-21(25)23-20)16-6-4-3-5-15(16)13-7-8-13/h5-12,32H,1-4H3,(H2,28,29,31);3-12,30H,1-2H3,(H2,26,27,29);3-5,8-10,30H,6-7H2,1-2H3,(H2,26,27,29);3-6,9-10,13H,7-8H2,1-2H3,(H2,22,23,25)
InChIKeyBJOQYRBDKWPRNO-UHFFFAOYSA-N
MW1632.73 g/mol
LogP15.80
Rot. Bonds16

About 4-(2-cyclopropylphenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dihydrobenzimidazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[hydroxy-bis(6-methyl-2-pyridinyl)methyl]-1,3-dihydrobenzimidazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[hydroxy(dipyridin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(4,4,4-trifluoro-1-hydroxy-1-pyridin-2-ylbutyl)-1,3-dihydrobenzimidazol-2-one

4-(2-cyclopropylphenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dihydrobenzimidazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[hydroxy-bis(6-methyl-2-pyridinyl)methyl]-1,3-dihydrobenzimidazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[hydroxy(dipyridin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(4,4,4-trifluoro-1-hydroxy-1-pyridin-2-ylbutyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 157369427) has the molecular formula C90H80F3N17O11 and a molecular weight of 1632.73 g/mol. Its IUPAC name is 4-(2-cyclopropylphenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dihydrobenzimidazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[hydroxy-bis(6-methyl-2-pyridinyl)methyl]-1,3-dihydrobenzimidazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[hydroxy(dipyridin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(4,4,4-trifluoro-1-hydroxy-1-pyridin-2-ylbutyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name4-(2-cyclopropylphenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dihydrobenzimidazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[hydroxy-bis(6-methyl-2-pyridinyl)methyl]-1,3-dihydrobenzimidazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[hydroxy(dipyridin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(4,4,4-trifluoro-1-hydroxy-1-pyridin-2-ylbutyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID157369427
Molecular FormulaC90H80F3N17O11
Molecular Weight1632.73 g/mol
Exact Mass1631.62
IUPAC Name4-(2-cyclopropylphenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dihydrobenzimidazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[hydroxy-bis(6-methyl-2-pyridinyl)methyl]-1,3-dihydrobenzimidazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[hydroxy(dipyridin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(4,4,4-trifluoro-1-hydroxy-1-pyridin-2-ylbutyl)-1,3-dihydrobenzimidazol-2-one
SMILESCc1cccc(C(O)(c2cccc(C)n2)c2cc(-c3c(C)noc3C)cc3[nH]c(=O)[nH]c23)n1.Cc1noc(C)c1-c1cc(-c2ccccc2C2CC2)c2[nH]c(=O)[nH]c2c1.Cc1noc(C)c1-c1cc(C(O)(CCC(F)(F)F)c2ccccn2)c2[nH]c(=O)[nH]c2c1.Cc1noc(C)c1-c1cc(C(O)(c2ccccn2)c2ccccn2)c2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C25H23N5O3.C23H19N5O3.C21H19F3N4O3.C21H19N3O2/c1-13-7-5-9-20(26-13)25(32,21-10-6-8-14(2)27-21)18-11-17(22-15(3)30-33-16(22)4)12-19-23(18)29-24(31)28-19;1-13-20(14(2)31-28-13)15-11-16(21-17(12-15)26-22(29)27-21)23(30,18-7-3-5-9-24-18)19-8-4-6-10-25-19;1-11-17(12(2)31-28-11)13-9-14(18-15(10-13)26-19(29)27-18)20(30,6-7-21(22,23)24)16-5-3-4-8-25-16;1-11-19(12(2)26-24-11)14-9-17(20-18(10-14)22-21(25)23-20)16-6-4-3-5-15(16)13-7-8-13/h5-12,32H,1-4H3,(H2,28,29,31);3-12,30H,1-2H3,(H2,26,27,29);3-5,8-10,30H,6-7H2,1-2H3,(H2,26,27,29);3-6,9-10,13H,7-8H2,1-2H3,(H2,22,23,25)
InChIKeyBJOQYRBDKWPRNO-UHFFFAOYSA-N
XLogP15.80
TPSA423.86 Ų
H-Bond Donors11
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms121
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001632.73
LogP ≤ 515.80
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1020

Analyze 4-(2-cyclopropylphenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dihydrobenzimidazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[hydroxy-bis(6-methyl-2-pyridinyl)methyl]-1,3-dihydrobenzimidazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[hydroxy(dipyridin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(4,4,4-trifluoro-1-hydroxy-1-pyridin-2-ylbutyl)-1,3-dihydrobenzimidazol-2-one with MolForge

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Related Compounds

6-(3,5-Dimethyl-1,2-oxazol-4-yl)-4-[(7-fluoroquinolin-2-yl)-hydroxy-pyridin-2-ylmethyl]-1,3-dihydrobenzimidazol-2-one
CID 86296581
4-[(2,6-Difluorophenyl)-(5-fluoro-2-pyridinyl)-hydroxymethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dihydrobenzimidazol-2-one
CID 86296582
4-[(2,4-Difluorophenyl)-(5-fluoro-2-pyridinyl)-hydroxymethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dihydrobenzimidazol-2-one
CID 86296772
4-[(2,5-Difluorophenyl)-(5-fluoro-2-pyridinyl)-hydroxymethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dihydrobenzimidazol-2-one
CID 86296773
6-(3,5-dimethylisoxazol-4-yl)-4-((5-fluoropyridin-2-yl)(hydroxy)(2,4,6-trifluorophenyl)methyl)-1H-benzo[d]imidazol-2(3H)-one
CID 86296776
4-(bis(5-fluoropyridin-2-yl)(hydroxy)methyl)-6-(3,5-dimethylisoxazol-4-yl)-1H-benzo[d]imidazol-2(3H)-one
CID 86296961
6-(3,5-dimethylisoxazol-4-yl)-4-(4,4,4-trifluoro-1-hydroxy-1-(pyridin-2-yl)butyl)-1H-benzo[d]imidazol-2(3H)-one
CID 86297158
5-(3,5-Dimethyl-1,2-oxazol-4-yl)-4-fluoro-7-[hydroxy(dipyridin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 86297349
6-(3,5-Dimethyl-1,2-oxazol-4-yl)-4-[(5-fluoro-2-pyridinyl)-hydroxy-(2,4,5-trifluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 117600931
4-[(3,5-Difluorophenyl)-(5-fluoro-2-pyridinyl)-hydroxymethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dihydrobenzimidazol-2-one
CID 117601442
6-(3,5-Dimethyl-1,2-oxazol-4-yl)-4-[hydroxy-pyridin-2-yl-[3-(trifluoromethyl)phenyl]methyl]-1,3-dihydrobenzimidazol-2-one
CID 117601862
6-(3,5-Dimethyl-1,2-oxazol-4-yl)-4-[(5-fluoro-2-pyridinyl)-hydroxy-pyrazin-2-ylmethyl]-1,3-dihydrobenzimidazol-2-one
CID 117601892

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropylphenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dihydrobenzimidazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[hydroxy-bis(6-methyl-2-pyridinyl)methyl]-1,3-dihydrobenzimidazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[hydroxy(dipyridin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(4,4,4-trifluoro-1-hydroxy-1-pyridin-2-ylbutyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 4-(2-cyclopropylphenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dihydrobenzimidazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[hydroxy-bis(6-methyl-2-pyridinyl)methyl]-1,3-dihydrobenzimidazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[hydroxy(dipyridin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(4,4,4-trifluoro-1-hydroxy-1-pyridin-2-ylbutyl)-1,3-dihydrobenzimidazol-2-one (CID 157369427) is 4-(2-cyclopropylphenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dihydrobenzimidazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[hydroxy-bis(6-methyl-2-pyridinyl)methyl]-1,3-dihydrobenzimidazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[hydroxy(dipyridin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(4,4,4-trifluoro-1-hydroxy-1-pyridin-2-ylbutyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 4-(2-cyclopropylphenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dihydrobenzimidazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[hydroxy-bis(6-methyl-2-pyridinyl)methyl]-1,3-dihydrobenzimidazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[hydroxy(dipyridin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(4,4,4-trifluoro-1-hydroxy-1-pyridin-2-ylbutyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 4-(2-cyclopropylphenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dihydrobenzimidazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[hydroxy-bis(6-methyl-2-pyridinyl)methyl]-1,3-dihydrobenzimidazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[hydroxy(dipyridin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(4,4,4-trifluoro-1-hydroxy-1-pyridin-2-ylbutyl)-1,3-dihydrobenzimidazol-2-one is Cc1cccc(C(O)(c2cccc(C)n2)c2cc(-c3c(C)noc3C)cc3[nH]c(=O)[nH]c23)n1.Cc1noc(C)c1-c1cc(-c2ccccc2C2CC2)c2[nH]c(=O)[nH]c2c1.Cc1noc(C)c1-c1cc(C(O)(CCC(F)(F)F)c2ccccn2)c2[nH]c(=O)[nH]c2c1.Cc1noc(C)c1-c1cc(C(O)(c2ccccn2)c2ccccn2)c2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 4-(2-cyclopropylphenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dihydrobenzimidazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[hydroxy-bis(6-methyl-2-pyridinyl)methyl]-1,3-dihydrobenzimidazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[hydroxy(dipyridin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(4,4,4-trifluoro-1-hydroxy-1-pyridin-2-ylbutyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is BJOQYRBDKWPRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3.C23H19N5O3.C21H19F3N4O3.C21H19N3O2/c1-13-7-5-9-20(26-13)25(32,21-10-6-8-14(2)27-21)18-11-17(22-15(3)30-33-16(22)4)12-19-23(18)29-24(31)28-19;1-13-20(14(2)31-28-13)15-11-16(21-17(12-15)26-22(29)27-21)23(30,18-7-3-5-9-24-18)19-8-4-6-10-25-19;1-11-17(12(2)31-28-11)13-9-14(18-15(10-13)26-19(29)27-18)20(30,6-7-21(22,23)24)16-5-3-4-8-25-16;1-11-19(12(2)26-24-11)14-9-17(20-18(10-14)22-21(25)23-20)16-6-4-3-5-15(16)13-7-8-13/h5-12,32H,1-4H3,(H2,28,29,31);3-12,30H,1-2H3,(H2,26,27,29);3-5,8-10,30H,6-7H2,1-2H3,(H2,26,27,29);3-6,9-10,13H,7-8H2,1-2H3,(H2,22,23,25).
What are the key properties of 4-(2-cyclopropylphenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dihydrobenzimidazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[hydroxy-bis(6-methyl-2-pyridinyl)methyl]-1,3-dihydrobenzimidazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[hydroxy(dipyridin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(4,4,4-trifluoro-1-hydroxy-1-pyridin-2-ylbutyl)-1,3-dihydrobenzimidazol-2-one?
4-(2-cyclopropylphenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dihydrobenzimidazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[hydroxy-bis(6-methyl-2-pyridinyl)methyl]-1,3-dihydrobenzimidazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[hydroxy(dipyridin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(4,4,4-trifluoro-1-hydroxy-1-pyridin-2-ylbutyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 1632.73 g/mol, XLogP of 15.80, 16 rotatable bonds, 11 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylphenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dihydrobenzimidazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[hydroxy-bis(6-methyl-2-pyridinyl)methyl]-1,3-dihydrobenzimidazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[hydroxy(dipyridin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(4,4,4-trifluoro-1-hydroxy-1-pyridin-2-ylbutyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 157369427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).