carbanide;4-(2-cyclopropyl-7-heptan-4-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[(E)-hept-3-en-4-yl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;ethanol;palladium

C47H65N6O3Pd- — CID 157429743

IUPACcarbanide;4-(2-cyclopropyl-7-heptan-4-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[(E)-hept-3-en-4-yl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;ethanol;palladium
SMILESCC/C=C(\CCC)c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.CCCC(CCC)c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.CCO.[CH3-].[Pd]
InChIInChI=1S/C22H29N3O.C22H27N3O.C2H6O.CH3.Pd/c2*1-5-7-15(8-6-2)18-11-17(20-13(3)25-26-14(20)4)12-19-21(18)24-22(23-19)16-9-10-16;1-2-3;;/h11-12,15-16H,5-10H2,1-4H3,(H,23,24);7,11-12,16H,5-6,8-10H2,1-4H3,(H,23,24);3H,2H2,1H3;1H3;/q;;;-1;/b;15-7+;;;
InChIKeyQMAYOTWVYJQUCN-MSQUTKIBSA-N
MW868.50 g/mol
LogP13.15
Rot. Bonds13

About carbanide;4-(2-cyclopropyl-7-heptan-4-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[(E)-hept-3-en-4-yl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;ethanol;palladium

carbanide;4-(2-cyclopropyl-7-heptan-4-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[(E)-hept-3-en-4-yl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;ethanol;palladium (PubChem CID 157429743) has the molecular formula C47H65N6O3Pd- and a molecular weight of 868.50 g/mol. Its IUPAC name is carbanide;4-(2-cyclopropyl-7-heptan-4-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[(E)-hept-3-en-4-yl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;ethanol;palladium.

Molecular Properties

Compound Namecarbanide;4-(2-cyclopropyl-7-heptan-4-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[(E)-hept-3-en-4-yl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;ethanol;palladium
PubChem CID157429743
Molecular FormulaC47H65N6O3Pd-
Molecular Weight868.50 g/mol
Exact Mass867.42
IUPAC Namecarbanide;4-(2-cyclopropyl-7-heptan-4-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[(E)-hept-3-en-4-yl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;ethanol;palladium
SMILESCC/C=C(\CCC)c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.CCCC(CCC)c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.CCO.[CH3-].[Pd]
InChIInChI=1S/C22H29N3O.C22H27N3O.C2H6O.CH3.Pd/c2*1-5-7-15(8-6-2)18-11-17(20-13(3)25-26-14(20)4)12-19-21(18)24-22(23-19)16-9-10-16;1-2-3;;/h11-12,15-16H,5-10H2,1-4H3,(H,23,24);7,11-12,16H,5-6,8-10H2,1-4H3,(H,23,24);3H,2H2,1H3;1H3;/q;;;-1;/b;15-7+;;;
InChIKeyQMAYOTWVYJQUCN-MSQUTKIBSA-N
XLogP13.15
TPSA129.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.50
LogP ≤ 513.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze carbanide;4-(2-cyclopropyl-7-heptan-4-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[(E)-hept-3-en-4-yl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;ethanol;palladium with MolForge

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Related Compounds

3-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-2,4-dimethylpentan-3-ol;4-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]heptan-4-ol;4-(2-cyclopropyl-7-heptan-4-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[(E)-hept-3-en-4-yl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 159999145
4-[2-cyclopropyl-7-[1-[4-(difluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 123861453
4-[2-cyclopropyl-7-(1-phenylethenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;ethane
CID 144744361
4-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]heptan-4-ol;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole-4-carboxylate
CID 159215852
N-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-N-ethanimidoylethanimidamide
CID 144744368
2-cyclopropyl-1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-pyridin-2-ylethanol
CID 144744305
[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-phenyl-pyridin-2-ylmethanol
CID 86281214
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
CID 157487487
4-[7-(2-benzylphenyl)-2-cyclopropyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 86282010
[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-phenyl-pyridin-3-ylmethanol
CID 86281212
(4-aminophenyl)-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-ylmethanol
CID 140922108
[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-(5H-1,4-diazepin-3-yl)-pyrazin-2-ylmethanol
CID 144744280

Frequently Asked Questions

What is the IUPAC name of carbanide;4-(2-cyclopropyl-7-heptan-4-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[(E)-hept-3-en-4-yl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;ethanol;palladium?
The IUPAC name of carbanide;4-(2-cyclopropyl-7-heptan-4-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[(E)-hept-3-en-4-yl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;ethanol;palladium (CID 157429743) is carbanide;4-(2-cyclopropyl-7-heptan-4-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[(E)-hept-3-en-4-yl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;ethanol;palladium.
What is the SMILES notation for carbanide;4-(2-cyclopropyl-7-heptan-4-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[(E)-hept-3-en-4-yl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;ethanol;palladium?
The canonical SMILES for carbanide;4-(2-cyclopropyl-7-heptan-4-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[(E)-hept-3-en-4-yl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;ethanol;palladium is CC/C=C(\CCC)c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.CCCC(CCC)c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.CCO.[CH3-].[Pd].
What is the InChIKey of carbanide;4-(2-cyclopropyl-7-heptan-4-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[(E)-hept-3-en-4-yl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;ethanol;palladium?
The InChIKey is QMAYOTWVYJQUCN-MSQUTKIBSA-N. The full InChI is InChI=1S/C22H29N3O.C22H27N3O.C2H6O.CH3.Pd/c2*1-5-7-15(8-6-2)18-11-17(20-13(3)25-26-14(20)4)12-19-21(18)24-22(23-19)16-9-10-16;1-2-3;;/h11-12,15-16H,5-10H2,1-4H3,(H,23,24);7,11-12,16H,5-6,8-10H2,1-4H3,(H,23,24);3H,2H2,1H3;1H3;/q;;;-1;/b;15-7+;;;.
What are the key properties of carbanide;4-(2-cyclopropyl-7-heptan-4-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[(E)-hept-3-en-4-yl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;ethanol;palladium?
carbanide;4-(2-cyclopropyl-7-heptan-4-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[(E)-hept-3-en-4-yl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;ethanol;palladium has a molecular weight of 868.50 g/mol, XLogP of 13.15, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;4-(2-cyclopropyl-7-heptan-4-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-[(E)-hept-3-en-4-yl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;ethanol;palladium is sourced from PubChem (CID 157429743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).