4-[2-cyclobutyl-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1-fluorocyclopropyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(2,4-dimethyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

C80H81FN18O5 — CID 157185467

IUPAC4-[2-cyclobutyl-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1-fluorocyclopropyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(2,4-dimethyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1ccnc(C)c1-c1cc(-c2c(C)noc2C)cc2[nH]cnc12.Cc1n[nH]c(C)c1-c1cc(-c2c(C)noc2C)cc2[nH]c(C3(F)CC3)nc12.Cc1n[nH]c(C)c1-c1cc(-c2c(C)noc2C)cc2[nH]c(C3CCC3)nc12.Cc1noc(C)c1-c1cc(-c2c(C)noc2C)c2nc(C3CC3)[nH]c2c1
InChIInChI=1S/C21H23N5O.C20H20FN5O.C20H20N4O2.C19H18N4O/c1-10-18(11(2)25-24-10)16-8-15(19-12(3)26-27-13(19)4)9-17-20(16)23-21(22-17)14-6-5-7-14;1-9-16(10(2)25-24-9)14-7-13(17-11(3)26-27-12(17)4)8-15-18(14)23-19(22-15)20(21)5-6-20;1-9-17(11(3)25-23-9)14-7-15(18-10(2)24-26-12(18)4)19-16(8-14)21-20(22-19)13-5-6-13;1-10-5-6-20-11(2)17(10)15-7-14(8-16-19(15)22-9-21-16)18-12(3)23-24-13(18)4/h8-9,14H,5-7H2,1-4H3,(H,22,23)(H,24,25);7-8H,5-6H2,1-4H3,(H,22,23)(H,24,25);7-8,13H,5-6H2,1-4H3,(H,21,22);5-9H,1-4H3,(H,21,22)
InChIKeyAPBKPVQSEYONRQ-UHFFFAOYSA-N
MW1393.65 g/mol
LogP19.41
Rot. Bonds11

About 4-[2-cyclobutyl-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1-fluorocyclopropyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(2,4-dimethyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

4-[2-cyclobutyl-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1-fluorocyclopropyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(2,4-dimethyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 157185467) has the molecular formula C80H81FN18O5 and a molecular weight of 1393.65 g/mol. Its IUPAC name is 4-[2-cyclobutyl-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1-fluorocyclopropyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(2,4-dimethyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[2-cyclobutyl-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1-fluorocyclopropyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(2,4-dimethyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID157185467
Molecular FormulaC80H81FN18O5
Molecular Weight1393.65 g/mol
Exact Mass1392.66
IUPAC Name4-[2-cyclobutyl-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1-fluorocyclopropyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(2,4-dimethyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1ccnc(C)c1-c1cc(-c2c(C)noc2C)cc2[nH]cnc12.Cc1n[nH]c(C)c1-c1cc(-c2c(C)noc2C)cc2[nH]c(C3(F)CC3)nc12.Cc1n[nH]c(C)c1-c1cc(-c2c(C)noc2C)cc2[nH]c(C3CCC3)nc12.Cc1noc(C)c1-c1cc(-c2c(C)noc2C)c2nc(C3CC3)[nH]c2c1
InChIInChI=1S/C21H23N5O.C20H20FN5O.C20H20N4O2.C19H18N4O/c1-10-18(11(2)25-24-10)16-8-15(19-12(3)26-27-13(19)4)9-17-20(16)23-21(22-17)14-6-5-7-14;1-9-16(10(2)25-24-9)14-7-13(17-11(3)26-27-12(17)4)8-15-18(14)23-19(22-15)20(21)5-6-20;1-9-17(11(3)25-23-9)14-7-15(18-10(2)24-26-12(18)4)19-16(8-14)21-20(22-19)13-5-6-13;1-10-5-6-20-11(2)17(10)15-7-14(8-16-19(15)22-9-21-16)18-12(3)23-24-13(18)4/h8-9,14H,5-7H2,1-4H3,(H,22,23)(H,24,25);7-8H,5-6H2,1-4H3,(H,22,23)(H,24,25);7-8,13H,5-6H2,1-4H3,(H,21,22);5-9H,1-4H3,(H,21,22)
InChIKeyAPBKPVQSEYONRQ-UHFFFAOYSA-N
XLogP19.41
TPSA315.12 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds11
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001393.65
LogP ≤ 519.41
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Analyze 4-[2-cyclobutyl-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1-fluorocyclopropyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(2,4-dimethyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole with MolForge

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Launch Full Analysis

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-[2-cyclopropyl-7-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 117689436
4-[2-cyclopropyl-7-(2-phenyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 86282285
3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole
CID 86282555
N-(cyclopropylmethyl)-4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(3,5-dimethylisoxazol-4-yl)-1H-benzo[d]imidazol-2-amine
CID 117689315
4-[2-cyclopropyl-7-(1,4-dimethylpyrazol-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 117689344
4-[2-cyclopropyl-7-[fluoro(dipyridin-2-yl)methyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 117689383
4-(4-(3,5-Dimethyl-1H-pyrazol-4-yl)-2-(1-fluorocyclopropyl)-1H-benzo[d]imidazol-6-yl)-3,5-dimethylisoxazole
CID 117689420
4-[2-cyclopropyl-7-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 117689457
4-(2-cyclopropyl-4-((S)-fluoro(pyridin-2-yl)((R)-4-oxaspiro[2.4]heptan-5-yl)methyl)-1H-benzo[d]imidazol-6-yl)-3,5-dimethylisoxazole
CID 117689468
4-[2-cyclopropyl-7-[(S)-fluoro-(4-oxaspiro[2.4]heptan-5-yl)-pyridin-2-ylmethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 117689470
4-[7-(2,4-dimethylpyrazol-3-yl)-2-(trifluoromethyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 117689606

Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclobutyl-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1-fluorocyclopropyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(2,4-dimethyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[2-cyclobutyl-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1-fluorocyclopropyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(2,4-dimethyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (CID 157185467) is 4-[2-cyclobutyl-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1-fluorocyclopropyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(2,4-dimethyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[2-cyclobutyl-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1-fluorocyclopropyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(2,4-dimethyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[2-cyclobutyl-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1-fluorocyclopropyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(2,4-dimethyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is Cc1ccnc(C)c1-c1cc(-c2c(C)noc2C)cc2[nH]cnc12.Cc1n[nH]c(C)c1-c1cc(-c2c(C)noc2C)cc2[nH]c(C3(F)CC3)nc12.Cc1n[nH]c(C)c1-c1cc(-c2c(C)noc2C)cc2[nH]c(C3CCC3)nc12.Cc1noc(C)c1-c1cc(-c2c(C)noc2C)c2nc(C3CC3)[nH]c2c1.
What is the InChIKey of 4-[2-cyclobutyl-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1-fluorocyclopropyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(2,4-dimethyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is APBKPVQSEYONRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O.C20H20FN5O.C20H20N4O2.C19H18N4O/c1-10-18(11(2)25-24-10)16-8-15(19-12(3)26-27-13(19)4)9-17-20(16)23-21(22-17)14-6-5-7-14;1-9-16(10(2)25-24-9)14-7-13(17-11(3)26-27-12(17)4)8-15-18(14)23-19(22-15)20(21)5-6-20;1-9-17(11(3)25-23-9)14-7-15(18-10(2)24-26-12(18)4)19-16(8-14)21-20(22-19)13-5-6-13;1-10-5-6-20-11(2)17(10)15-7-14(8-16-19(15)22-9-21-16)18-12(3)23-24-13(18)4/h8-9,14H,5-7H2,1-4H3,(H,22,23)(H,24,25);7-8H,5-6H2,1-4H3,(H,22,23)(H,24,25);7-8,13H,5-6H2,1-4H3,(H,21,22);5-9H,1-4H3,(H,21,22).
What are the key properties of 4-[2-cyclobutyl-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1-fluorocyclopropyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(2,4-dimethyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
4-[2-cyclobutyl-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1-fluorocyclopropyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(2,4-dimethyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 1393.65 g/mol, XLogP of 19.41, 11 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyclobutyl-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1-fluorocyclopropyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(2,4-dimethyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 157185467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).