4-[2-cyclopropyl-7-[1-[4-(1,1-difluoroethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(3-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;bis(4-[2-cyclopropyl-7-[1-(4-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole)

C97H92F2N12O4 — CID 157428823

IUPAC4-[2-cyclopropyl-7-[1-[4-(1,1-difluoroethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(3-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;bis(4-[2-cyclopropyl-7-[1-(4-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole)
SMILESC=C(c1ccc(C(C)(F)F)cc1)c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.C=C(c1ccc(C)cc1)c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.C=C(c1ccc(C)cc1)c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.C=C(c1cccc(C)c1)c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12
InChIInChI=1S/C25H23F2N3O.3C24H23N3O/c1-13(16-7-9-19(10-8-16)25(4,26)27)20-11-18(22-14(2)30-31-15(22)3)12-21-23(20)29-24(28-21)17-5-6-17;2*1-13-5-7-17(8-6-13)14(2)20-11-19(22-15(3)27-28-16(22)4)12-21-23(20)26-24(25-21)18-9-10-18;1-13-6-5-7-18(10-13)14(2)20-11-19(22-15(3)27-28-16(22)4)12-21-23(20)26-24(25-21)17-8-9-17/h7-12,17H,1,5-6H2,2-4H3,(H,28,29);2*5-8,11-12,18H,2,9-10H2,1,3-4H3,(H,25,26);5-7,10-12,17H,2,8-9H2,1,3-4H3,(H,25,26)
InChIKeyBQHARMFBXFMJEV-UHFFFAOYSA-N
MW1527.88 g/mol
LogP25.13
Rot. Bonds17

About 4-[2-cyclopropyl-7-[1-[4-(1,1-difluoroethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(3-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;bis(4-[2-cyclopropyl-7-[1-(4-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole)

4-[2-cyclopropyl-7-[1-[4-(1,1-difluoroethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(3-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;bis(4-[2-cyclopropyl-7-[1-(4-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole) (PubChem CID 157428823) has the molecular formula C97H92F2N12O4 and a molecular weight of 1527.88 g/mol. Its IUPAC name is 4-[2-cyclopropyl-7-[1-[4-(1,1-difluoroethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(3-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;bis(4-[2-cyclopropyl-7-[1-(4-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole).

Molecular Properties

Compound Name4-[2-cyclopropyl-7-[1-[4-(1,1-difluoroethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(3-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;bis(4-[2-cyclopropyl-7-[1-(4-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole)
PubChem CID157428823
Molecular FormulaC97H92F2N12O4
Molecular Weight1527.88 g/mol
Exact Mass1526.73
IUPAC Name4-[2-cyclopropyl-7-[1-[4-(1,1-difluoroethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(3-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;bis(4-[2-cyclopropyl-7-[1-(4-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole)
SMILESC=C(c1ccc(C(C)(F)F)cc1)c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.C=C(c1ccc(C)cc1)c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.C=C(c1ccc(C)cc1)c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.C=C(c1cccc(C)c1)c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12
InChIInChI=1S/C25H23F2N3O.3C24H23N3O/c1-13(16-7-9-19(10-8-16)25(4,26)27)20-11-18(22-14(2)30-31-15(22)3)12-21-23(20)29-24(28-21)17-5-6-17;2*1-13-5-7-17(8-6-13)14(2)20-11-19(22-15(3)27-28-16(22)4)12-21-23(20)26-24(25-21)18-9-10-18;1-13-6-5-7-18(10-13)14(2)20-11-19(22-15(3)27-28-16(22)4)12-21-23(20)26-24(25-21)17-8-9-17/h7-12,17H,1,5-6H2,2-4H3,(H,28,29);2*5-8,11-12,18H,2,9-10H2,1,3-4H3,(H,25,26);5-7,10-12,17H,2,8-9H2,1,3-4H3,(H,25,26)
InChIKeyBQHARMFBXFMJEV-UHFFFAOYSA-N
XLogP25.13
TPSA218.84 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001527.88
LogP ≤ 525.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 4-[2-cyclopropyl-7-[1-[4-(1,1-difluoroethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(3-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;bis(4-[2-cyclopropyl-7-[1-(4-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole) with MolForge

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Related Compounds

4-(2-cyclopropyl-4-(3-methyl-5-phenyl-1H-pyrazol-4-yl)-1H-benzo[d]imidazol-6-yl)-3,5-dimethylisoxazole
CID 117689397
4,4'-(2-Cyclopropyl-1H-benzo[d]imidazole-4,6-diyl)bis(3,5-dimethylisoxazole)
CID 117689648
N-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-1-[4-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methanamine;2,2,2-trifluoroacetic acid
CID 44525150
N-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-1-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]methanamine;2,2,2-trifluoroacetic acid
CID 44525152
N-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-1-[3-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]methanamine;2,2,2-trifluoroacetic acid
CID 44525160
N-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-1-[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methanamine;2,2,2-trifluoroacetic acid
CID 44525164
N-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-1-[4-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]methanamine;2,2,2-trifluoroacetic acid
CID 44525170
(E)-4-(2-cyclopropyl-4-(hex-3-en-3-yl)-1H-benzo[d]imidazol-6-yl)-3,5-dimethylisoxazole
CID 86280791
4-(2-cyclopropyl-4-(pentan-3-yl)-1H-benzo[d]imidazol-6-yl)-3,5-dimethylisoxazole
CID 86280936
(2-Cyclopropyl-6-(3,5-dimethylisoxazol-4-yl)-1H-benzo[d]imidazol-4-yl)diphenylmethanol
CID 86281080
4-[2-cyclopropyl-7-[1-(4-fluorophenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 86281737
4-(2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benzo[d]imidazol-5-yl)-3,5-dimethylisoxazole
CID 117689237

Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclopropyl-7-[1-[4-(1,1-difluoroethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(3-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;bis(4-[2-cyclopropyl-7-[1-(4-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole)?
The IUPAC name of 4-[2-cyclopropyl-7-[1-[4-(1,1-difluoroethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(3-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;bis(4-[2-cyclopropyl-7-[1-(4-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole) (CID 157428823) is 4-[2-cyclopropyl-7-[1-[4-(1,1-difluoroethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(3-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;bis(4-[2-cyclopropyl-7-[1-(4-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole).
What is the SMILES notation for 4-[2-cyclopropyl-7-[1-[4-(1,1-difluoroethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(3-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;bis(4-[2-cyclopropyl-7-[1-(4-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole)?
The canonical SMILES for 4-[2-cyclopropyl-7-[1-[4-(1,1-difluoroethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(3-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;bis(4-[2-cyclopropyl-7-[1-(4-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole) is C=C(c1ccc(C(C)(F)F)cc1)c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.C=C(c1ccc(C)cc1)c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.C=C(c1ccc(C)cc1)c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.C=C(c1cccc(C)c1)c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.
What is the InChIKey of 4-[2-cyclopropyl-7-[1-[4-(1,1-difluoroethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(3-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;bis(4-[2-cyclopropyl-7-[1-(4-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole)?
The InChIKey is BQHARMFBXFMJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N3O.3C24H23N3O/c1-13(16-7-9-19(10-8-16)25(4,26)27)20-11-18(22-14(2)30-31-15(22)3)12-21-23(20)29-24(28-21)17-5-6-17;2*1-13-5-7-17(8-6-13)14(2)20-11-19(22-15(3)27-28-16(22)4)12-21-23(20)26-24(25-21)18-9-10-18;1-13-6-5-7-18(10-13)14(2)20-11-19(22-15(3)27-28-16(22)4)12-21-23(20)26-24(25-21)17-8-9-17/h7-12,17H,1,5-6H2,2-4H3,(H,28,29);2*5-8,11-12,18H,2,9-10H2,1,3-4H3,(H,25,26);5-7,10-12,17H,2,8-9H2,1,3-4H3,(H,25,26).
What are the key properties of 4-[2-cyclopropyl-7-[1-[4-(1,1-difluoroethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(3-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;bis(4-[2-cyclopropyl-7-[1-(4-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole)?
4-[2-cyclopropyl-7-[1-[4-(1,1-difluoroethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(3-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;bis(4-[2-cyclopropyl-7-[1-(4-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole) has a molecular weight of 1527.88 g/mol, XLogP of 25.13, 17 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyclopropyl-7-[1-[4-(1,1-difluoroethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[1-(3-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;bis(4-[2-cyclopropyl-7-[1-(4-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole) is sourced from PubChem (CID 157428823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).