4-[2-cyclopropyl-7-(1-phenylethenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;ethane

C25H27N3O — CID 144744361

IUPAC4-[2-cyclopropyl-7-(1-phenylethenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;ethane
SMILESC=C(c1ccccc1)c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.CC
InChIInChI=1S/C23H21N3O.C2H6/c1-13(16-7-5-4-6-8-16)19-11-18(21-14(2)26-27-15(21)3)12-20-22(19)25-23(24-20)17-9-10-17;1-2/h4-8,11-12,17H,1,9-10H2,2-3H3,(H,24,25);1-2H3
InChIKeySTBSZTOQUIYUIQ-UHFFFAOYSA-N
MW385.51 g/mol
LogP6.80
Rot. Bonds4

About 4-[2-cyclopropyl-7-(1-phenylethenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;ethane

4-[2-cyclopropyl-7-(1-phenylethenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;ethane (PubChem CID 144744361) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is 4-[2-cyclopropyl-7-(1-phenylethenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;ethane.

Molecular Properties

Compound Name4-[2-cyclopropyl-7-(1-phenylethenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;ethane
PubChem CID144744361
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC Name4-[2-cyclopropyl-7-(1-phenylethenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;ethane
SMILESC=C(c1ccccc1)c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.CC
InChIInChI=1S/C23H21N3O.C2H6/c1-13(16-7-5-4-6-8-16)19-11-18(21-14(2)26-27-15(21)3)12-20-22(19)25-23(24-20)17-9-10-17;1-2/h4-8,11-12,17H,1,9-10H2,2-3H3,(H,24,25);1-2H3
InChIKeySTBSZTOQUIYUIQ-UHFFFAOYSA-N
XLogP6.80
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-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
4-[2-cyclopropyl-7-[1-[4-(difluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 123861453
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
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
(4-aminophenyl)-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-ylmethanol
CID 140922108
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
4H-azepin-2-yl-[2-cyclohexyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-ylmethanol
CID 144744376
[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-diphenylmethanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-3-ylmethanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-phenyl-pyridin-2-ylmethanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-phenyl-pyridin-3-ylmethanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-fluoro-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol
CID 159810804
methyl 2-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole-4-carboxylate;methyl 1-benzyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazole-4-carboxylate;methyl 3-benzyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-3-ium-4-carboxylate;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole-4-carboxylate;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylbenzimidazole-4-carboxylate
CID 158111242

Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclopropyl-7-(1-phenylethenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;ethane?
The IUPAC name of 4-[2-cyclopropyl-7-(1-phenylethenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;ethane (CID 144744361) is 4-[2-cyclopropyl-7-(1-phenylethenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;ethane.
What is the SMILES notation for 4-[2-cyclopropyl-7-(1-phenylethenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;ethane?
The canonical SMILES for 4-[2-cyclopropyl-7-(1-phenylethenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;ethane is C=C(c1ccccc1)c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.CC.
What is the InChIKey of 4-[2-cyclopropyl-7-(1-phenylethenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;ethane?
The InChIKey is STBSZTOQUIYUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O.C2H6/c1-13(16-7-5-4-6-8-16)19-11-18(21-14(2)26-27-15(21)3)12-20-22(19)25-23(24-20)17-9-10-17;1-2/h4-8,11-12,17H,1,9-10H2,2-3H3,(H,24,25);1-2H3.
What are the key properties of 4-[2-cyclopropyl-7-(1-phenylethenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;ethane?
4-[2-cyclopropyl-7-(1-phenylethenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;ethane has a molecular weight of 385.51 g/mol, XLogP of 6.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyclopropyl-7-(1-phenylethenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;ethane is sourced from PubChem (CID 144744361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).