4-(2-cyclopropyl-7-methyl-3H-benzimidazol-5-yl)-2,3,5-trimethyl-3H-1,2-oxazole

C17H21N3O — CID 144744251

IUPAC4-(2-cyclopropyl-7-methyl-3H-benzimidazol-5-yl)-2,3,5-trimethyl-3H-1,2-oxazole
SMILESCC1=C(c2cc(C)c3nc(C4CC4)[nH]c3c2)C(C)N(C)O1
InChIInChI=1S/C17H21N3O/c1-9-7-13(15-10(2)20(4)21-11(15)3)8-14-16(9)19-17(18-14)12-5-6-12/h7-8,10,12H,5-6H2,1-4H3,(H,18,19)
InChIKeyTZQUJWWJQYDIIX-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.75
Rot. Bonds2

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

4-(2-cyclopropyl-7-methyl-3H-benzimidazol-5-yl)-2,3,5-trimethyl-3H-1,2-oxazole (PubChem CID 144744251) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-(2-cyclopropyl-7-methyl-3H-benzimidazol-5-yl)-2,3,5-trimethyl-3H-1,2-oxazole.

Molecular Properties

Compound Name4-(2-cyclopropyl-7-methyl-3H-benzimidazol-5-yl)-2,3,5-trimethyl-3H-1,2-oxazole
PubChem CID144744251
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name4-(2-cyclopropyl-7-methyl-3H-benzimidazol-5-yl)-2,3,5-trimethyl-3H-1,2-oxazole
SMILESCC1=C(c2cc(C)c3nc(C4CC4)[nH]c3c2)C(C)N(C)O1
InChIInChI=1S/C17H21N3O/c1-9-7-13(15-10(2)20(4)21-11(15)3)8-14-16(9)19-17(18-14)12-5-6-12/h7-8,10,12H,5-6H2,1-4H3,(H,18,19)
InChIKeyTZQUJWWJQYDIIX-UHFFFAOYSA-N
XLogP3.75
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.75
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-methyl-3H-benzimidazol-5-yl)-2,3,5-trimethyl-3H-1,2-oxazole?
The IUPAC name of 4-(2-cyclopropyl-7-methyl-3H-benzimidazol-5-yl)-2,3,5-trimethyl-3H-1,2-oxazole (CID 144744251) is 4-(2-cyclopropyl-7-methyl-3H-benzimidazol-5-yl)-2,3,5-trimethyl-3H-1,2-oxazole.
What is the SMILES notation for 4-(2-cyclopropyl-7-methyl-3H-benzimidazol-5-yl)-2,3,5-trimethyl-3H-1,2-oxazole?
The canonical SMILES for 4-(2-cyclopropyl-7-methyl-3H-benzimidazol-5-yl)-2,3,5-trimethyl-3H-1,2-oxazole is CC1=C(c2cc(C)c3nc(C4CC4)[nH]c3c2)C(C)N(C)O1.
What is the InChIKey of 4-(2-cyclopropyl-7-methyl-3H-benzimidazol-5-yl)-2,3,5-trimethyl-3H-1,2-oxazole?
The InChIKey is TZQUJWWJQYDIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-9-7-13(15-10(2)20(4)21-11(15)3)8-14-16(9)19-17(18-14)12-5-6-12/h7-8,10,12H,5-6H2,1-4H3,(H,18,19).
What are the key properties of 4-(2-cyclopropyl-7-methyl-3H-benzimidazol-5-yl)-2,3,5-trimethyl-3H-1,2-oxazole?
4-(2-cyclopropyl-7-methyl-3H-benzimidazol-5-yl)-2,3,5-trimethyl-3H-1,2-oxazole has a molecular weight of 283.38 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropyl-7-methyl-3H-benzimidazol-5-yl)-2,3,5-trimethyl-3H-1,2-oxazole is sourced from PubChem (CID 144744251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).