1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-ethylpyrrolidin-2-one;1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methylpyrrolidin-2-one;(5R)-1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methylpyrrolidin-2-one;4-[2-cyclopropyl-7-(2-phenylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

C88H91N15O7 — CID 157430681

IUPAC1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-ethylpyrrolidin-2-one;1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methylpyrrolidin-2-one;(5R)-1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methylpyrrolidin-2-one;4-[2-cyclopropyl-7-(2-phenylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCCC1CCC(=O)N1c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.Cc1noc(C)c1-c1cc(-c2ccccc2-c2ccccc2)c2nc(C3CC3)[nH]c2c1.Cc1noc(C)c1-c1cc(N2C(=O)CCC2C)c2nc(C3CC3)[nH]c2c1.Cc1noc(C)c1-c1cc(N2C(=O)CC[C@H]2C)c2nc(C3CC3)[nH]c2c1
InChIInChI=1S/C27H23N3O.C21H24N4O2.2C20H22N4O2/c1-16-25(17(2)31-30-16)20-14-23(26-24(15-20)28-27(29-26)19-12-13-19)22-11-7-6-10-21(22)18-8-4-3-5-9-18;1-4-15-7-8-18(26)25(15)17-10-14(19-11(2)24-27-12(19)3)9-16-20(17)23-21(22-16)13-5-6-13;2*1-10-4-7-17(25)24(10)16-9-14(18-11(2)23-26-12(18)3)8-15-19(16)22-20(21-15)13-5-6-13/h3-11,14-15,19H,12-13H2,1-2H3,(H,28,29);9-10,13,15H,4-8H2,1-3H3,(H,22,23);2*8-10,13H,4-7H2,1-3H3,(H,21,22)/t;;10-;/m..1./s1
InChIKeyBQMNAGROIVCOEP-REYYQDDLSA-N
MW1470.79 g/mol
LogP20.12
Rot. Bonds14

About 1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-ethylpyrrolidin-2-one;1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methylpyrrolidin-2-one;(5R)-1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methylpyrrolidin-2-one;4-[2-cyclopropyl-7-(2-phenylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-ethylpyrrolidin-2-one;1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methylpyrrolidin-2-one;(5R)-1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methylpyrrolidin-2-one;4-[2-cyclopropyl-7-(2-phenylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 157430681) has the molecular formula C88H91N15O7 and a molecular weight of 1470.79 g/mol. Its IUPAC name is 1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-ethylpyrrolidin-2-one;1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methylpyrrolidin-2-one;(5R)-1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methylpyrrolidin-2-one;4-[2-cyclopropyl-7-(2-phenylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-ethylpyrrolidin-2-one;1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methylpyrrolidin-2-one;(5R)-1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methylpyrrolidin-2-one;4-[2-cyclopropyl-7-(2-phenylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID157430681
Molecular FormulaC88H91N15O7
Molecular Weight1470.79 g/mol
Exact Mass1469.72
IUPAC Name1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-ethylpyrrolidin-2-one;1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methylpyrrolidin-2-one;(5R)-1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methylpyrrolidin-2-one;4-[2-cyclopropyl-7-(2-phenylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCCC1CCC(=O)N1c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.Cc1noc(C)c1-c1cc(-c2ccccc2-c2ccccc2)c2nc(C3CC3)[nH]c2c1.Cc1noc(C)c1-c1cc(N2C(=O)CCC2C)c2nc(C3CC3)[nH]c2c1.Cc1noc(C)c1-c1cc(N2C(=O)CC[C@H]2C)c2nc(C3CC3)[nH]c2c1
InChIInChI=1S/C27H23N3O.C21H24N4O2.2C20H22N4O2/c1-16-25(17(2)31-30-16)20-14-23(26-24(15-20)28-27(29-26)19-12-13-19)22-11-7-6-10-21(22)18-8-4-3-5-9-18;1-4-15-7-8-18(26)25(15)17-10-14(19-11(2)24-27-12(19)3)9-16-20(17)23-21(22-16)13-5-6-13;2*1-10-4-7-17(25)24(10)16-9-14(18-11(2)23-26-12(18)3)8-15-19(16)22-20(21-15)13-5-6-13/h3-11,14-15,19H,12-13H2,1-2H3,(H,28,29);9-10,13,15H,4-8H2,1-3H3,(H,22,23);2*8-10,13H,4-7H2,1-3H3,(H,21,22)/t;;10-;/m..1./s1
InChIKeyBQMNAGROIVCOEP-REYYQDDLSA-N
XLogP20.12
TPSA279.77 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001470.79
LogP ≤ 520.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze 1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-ethylpyrrolidin-2-one;1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methylpyrrolidin-2-one;(5R)-1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methylpyrrolidin-2-one;4-[2-cyclopropyl-7-(2-phenylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole with MolForge

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Related Compounds

4,4'-(2-Cyclopropyl-1H-benzo[d]imidazole-4,6-diyl)bis(3,5-dimethylisoxazole)
CID 117689648
2-[1-[[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl]acetyl]amino]-2-methylpropyl]-1H-benzimidazole-4-carboxamide
CID 168294648
1-(2-Cyclopropyl-6-(3,5-dimethylisoxazol-4-yl)-1H-benzo[d]imidazol-4-yl)-5-methylpyrrolidin-2-one
CID 86281740
1-(2-Cyclopropyl-6-(3,5-dimethylisoxazol-4-yl)-1H-benzo[d]imidazol-4-yl)-5-ethylpyrrolidin-2-one
CID 86281872
(S)-1-(2-Cyclopropyl-6-(3,5-dimethylisoxazol-4-yl)-1H-benzo[d]imidazol-4-yl)-5-(trifluoromethyl)pyrrolidin-2-one
CID 86281873
1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-(trifluoromethyl)pyrrolidin-2-one
CID 117689481
(5S)-1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-(1,1-difluoropropyl)pyrrolidin-2-one
CID 117714073
(5S)-1-(3,4-difluorophenyl)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]pyrrolidin-2-one
CID 134457227
(5S)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-1-(3,4,5-trifluorophenyl)pyrrolidin-2-one
CID 134457393
(5S)-1-(4,5-difluoro-2-methylphenyl)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]pyrrolidin-2-one
CID 134457427
(5S)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-1-(5-fluoro-2-methylphenyl)pyrrolidin-2-one
CID 134457445
(5S)-1-(3,5-difluorophenyl)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]pyrrolidin-2-one
CID 134457448

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-ethylpyrrolidin-2-one;1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methylpyrrolidin-2-one;(5R)-1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methylpyrrolidin-2-one;4-[2-cyclopropyl-7-(2-phenylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-ethylpyrrolidin-2-one;1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methylpyrrolidin-2-one;(5R)-1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methylpyrrolidin-2-one;4-[2-cyclopropyl-7-(2-phenylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (CID 157430681) is 1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-ethylpyrrolidin-2-one;1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methylpyrrolidin-2-one;(5R)-1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methylpyrrolidin-2-one;4-[2-cyclopropyl-7-(2-phenylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-ethylpyrrolidin-2-one;1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methylpyrrolidin-2-one;(5R)-1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methylpyrrolidin-2-one;4-[2-cyclopropyl-7-(2-phenylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-ethylpyrrolidin-2-one;1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methylpyrrolidin-2-one;(5R)-1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methylpyrrolidin-2-one;4-[2-cyclopropyl-7-(2-phenylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is CCC1CCC(=O)N1c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.Cc1noc(C)c1-c1cc(-c2ccccc2-c2ccccc2)c2nc(C3CC3)[nH]c2c1.Cc1noc(C)c1-c1cc(N2C(=O)CCC2C)c2nc(C3CC3)[nH]c2c1.Cc1noc(C)c1-c1cc(N2C(=O)CC[C@H]2C)c2nc(C3CC3)[nH]c2c1.
What is the InChIKey of 1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-ethylpyrrolidin-2-one;1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methylpyrrolidin-2-one;(5R)-1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methylpyrrolidin-2-one;4-[2-cyclopropyl-7-(2-phenylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is BQMNAGROIVCOEP-REYYQDDLSA-N. The full InChI is InChI=1S/C27H23N3O.C21H24N4O2.2C20H22N4O2/c1-16-25(17(2)31-30-16)20-14-23(26-24(15-20)28-27(29-26)19-12-13-19)22-11-7-6-10-21(22)18-8-4-3-5-9-18;1-4-15-7-8-18(26)25(15)17-10-14(19-11(2)24-27-12(19)3)9-16-20(17)23-21(22-16)13-5-6-13;2*1-10-4-7-17(25)24(10)16-9-14(18-11(2)23-26-12(18)3)8-15-19(16)22-20(21-15)13-5-6-13/h3-11,14-15,19H,12-13H2,1-2H3,(H,28,29);9-10,13,15H,4-8H2,1-3H3,(H,22,23);2*8-10,13H,4-7H2,1-3H3,(H,21,22)/t;;10-;/m..1./s1.
What are the key properties of 1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-ethylpyrrolidin-2-one;1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methylpyrrolidin-2-one;(5R)-1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methylpyrrolidin-2-one;4-[2-cyclopropyl-7-(2-phenylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-ethylpyrrolidin-2-one;1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methylpyrrolidin-2-one;(5R)-1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methylpyrrolidin-2-one;4-[2-cyclopropyl-7-(2-phenylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 1470.79 g/mol, XLogP of 20.12, 14 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-ethylpyrrolidin-2-one;1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methylpyrrolidin-2-one;(5R)-1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methylpyrrolidin-2-one;4-[2-cyclopropyl-7-(2-phenylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 157430681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).