4-(2-cyclopropyl-7-pentan-3-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole

C20H25N3O — CID 86280936

IUPAC4-(2-cyclopropyl-7-pentan-3-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole
SMILESCCC(CC)c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12
InChIInChI=1S/C20H25N3O/c1-5-13(6-2)16-9-15(18-11(3)23-24-12(18)4)10-17-19(16)22-20(21-17)14-7-8-14/h9-10,13-14H,5-8H2,1-4H3,(H,21,22)
InChIKeyIXUWMPJPOBEFGZ-UHFFFAOYSA-N
MW323.44 g/mol
LogP5.62
Rot. Bonds5

About 4-(2-cyclopropyl-7-pentan-3-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole

4-(2-cyclopropyl-7-pentan-3-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole (PubChem CID 86280936) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-(2-cyclopropyl-7-pentan-3-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-(2-cyclopropyl-7-pentan-3-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole
PubChem CID86280936
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name4-(2-cyclopropyl-7-pentan-3-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole
SMILESCCC(CC)c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12
InChIInChI=1S/C20H25N3O/c1-5-13(6-2)16-9-15(18-11(3)23-24-12(18)4)10-17-19(16)22-20(21-17)14-7-8-14/h9-10,13-14H,5-8H2,1-4H3,(H,21,22)
InChIKeyIXUWMPJPOBEFGZ-UHFFFAOYSA-N
XLogP5.62
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.44
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropyl-7-pentan-3-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-(2-cyclopropyl-7-pentan-3-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole (CID 86280936) is 4-(2-cyclopropyl-7-pentan-3-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-(2-cyclopropyl-7-pentan-3-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-(2-cyclopropyl-7-pentan-3-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole is CCC(CC)c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.
What is the InChIKey of 4-(2-cyclopropyl-7-pentan-3-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole?
The InChIKey is IXUWMPJPOBEFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-5-13(6-2)16-9-15(18-11(3)23-24-12(18)4)10-17-19(16)22-20(21-17)14-7-8-14/h9-10,13-14H,5-8H2,1-4H3,(H,21,22).
What are the key properties of 4-(2-cyclopropyl-7-pentan-3-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole?
4-(2-cyclopropyl-7-pentan-3-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole has a molecular weight of 323.44 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropyl-7-pentan-3-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 86280936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).