3-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylbenzimidazol-4-yl]pentan-3-ol;ethane

C23H33N3O2 — CID 144744271

IUPAC3-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylbenzimidazol-4-yl]pentan-3-ol;ethane
SMILESCC.CCC(O)(CC)c1cc(-c2c(C)noc2C)cc2c1nc(C1CC1)n2C
InChIInChI=1S/C21H27N3O2.C2H6/c1-6-21(25,7-2)16-10-15(18-12(3)23-26-13(18)4)11-17-19(16)22-20(24(17)5)14-8-9-14;1-2/h10-11,14,25H,6-9H2,1-5H3;1-2H3
InChIKeyNGFFZWVOEYMVES-UHFFFAOYSA-N
MW383.54 g/mol
LogP5.76
Rot. Bonds5

About 3-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylbenzimidazol-4-yl]pentan-3-ol;ethane

3-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylbenzimidazol-4-yl]pentan-3-ol;ethane (PubChem CID 144744271) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 3-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylbenzimidazol-4-yl]pentan-3-ol;ethane.

Molecular Properties

Compound Name3-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylbenzimidazol-4-yl]pentan-3-ol;ethane
PubChem CID144744271
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Name3-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylbenzimidazol-4-yl]pentan-3-ol;ethane
SMILESCC.CCC(O)(CC)c1cc(-c2c(C)noc2C)cc2c1nc(C1CC1)n2C
InChIInChI=1S/C21H27N3O2.C2H6/c1-6-21(25,7-2)16-10-15(18-12(3)23-26-13(18)4)11-17-19(16)22-20(24(17)5)14-8-9-14;1-2/h10-11,14,25H,6-9H2,1-5H3;1-2H3
InChIKeyNGFFZWVOEYMVES-UHFFFAOYSA-N
XLogP5.76
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.54
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylbenzimidazol-4-yl]pentan-3-ol;ethane with MolForge

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Related Compounds

1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-1H-benzimidazol-3-ium-4-yl]propan-1-ol;3-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylbenzimidazol-4-yl]pentan-3-ol
CID 158986541
tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-ethylidene-1-hydroxy-1-pyridin-3-ylpenta-3,4-dienyl)benzimidazole-1-carboxylate
CID 123608727
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
ethyl 4-[3-[dicyclopropyl(hydroxy)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-3,5-diethoxybenzoate
CID 155195160
tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-oxo-3-pyridin-2-ylpropyl)benzimidazole-1-carboxylate
CID 144744308
[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-hydroxyethenyl)benzimidazol-4-yl]-(6-methylpyridazin-3-yl)methanone
CID 144744347
4-[3-(cyclobutylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-3,5-diethoxybenzoic acid
CID 158302135
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
[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-phenyl-pyridin-3-ylmethanol
CID 86281212
1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-2-methyl-5-(methylideneamino)-1-(1,3-oxazol-2-yl)penta-2,4-dien-1-ol
CID 123141783
4-[2-cyclopropyl-7-(1-phenylethenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;ethane
CID 144744361

Frequently Asked Questions

What is the IUPAC name of 3-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylbenzimidazol-4-yl]pentan-3-ol;ethane?
The IUPAC name of 3-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylbenzimidazol-4-yl]pentan-3-ol;ethane (CID 144744271) is 3-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylbenzimidazol-4-yl]pentan-3-ol;ethane.
What is the SMILES notation for 3-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylbenzimidazol-4-yl]pentan-3-ol;ethane?
The canonical SMILES for 3-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylbenzimidazol-4-yl]pentan-3-ol;ethane is CC.CCC(O)(CC)c1cc(-c2c(C)noc2C)cc2c1nc(C1CC1)n2C.
What is the InChIKey of 3-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylbenzimidazol-4-yl]pentan-3-ol;ethane?
The InChIKey is NGFFZWVOEYMVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2.C2H6/c1-6-21(25,7-2)16-10-15(18-12(3)23-26-13(18)4)11-17-19(16)22-20(24(17)5)14-8-9-14;1-2/h10-11,14,25H,6-9H2,1-5H3;1-2H3.
What are the key properties of 3-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylbenzimidazol-4-yl]pentan-3-ol;ethane?
3-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylbenzimidazol-4-yl]pentan-3-ol;ethane has a molecular weight of 383.54 g/mol, XLogP of 5.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylbenzimidazol-4-yl]pentan-3-ol;ethane is sourced from PubChem (CID 144744271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).