(5,6-dimethylbenzimidazol-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone

C20H17N3O2 — CID 798239

IUPAC(5,6-dimethylbenzimidazol-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
SMILESCc1cc2ncn(C(=O)c3c(-c4ccccc4)noc3C)c2cc1C
InChIInChI=1S/C20H17N3O2/c1-12-9-16-17(10-13(12)2)23(11-21-16)20(24)18-14(3)25-22-19(18)15-7-5-4-6-8-15/h4-11H,1-3H3
InChIKeyYBVBVVFVNKLFOQ-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.31
Rot. Bonds2

About (5,6-dimethylbenzimidazol-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone

(5,6-dimethylbenzimidazol-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone (PubChem CID 798239) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is (5,6-dimethylbenzimidazol-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name(5,6-dimethylbenzimidazol-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
PubChem CID798239
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name(5,6-dimethylbenzimidazol-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
SMILESCc1cc2ncn(C(=O)c3c(-c4ccccc4)noc3C)c2cc1C
InChIInChI=1S/C20H17N3O2/c1-12-9-16-17(10-13(12)2)23(11-21-16)20(24)18-14(3)25-22-19(18)15-7-5-4-6-8-15/h4-11H,1-3H3
InChIKeyYBVBVVFVNKLFOQ-UHFFFAOYSA-N
XLogP4.31
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5,6-dimethylbenzimidazol-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of (5,6-dimethylbenzimidazol-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone (CID 798239) is (5,6-dimethylbenzimidazol-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for (5,6-dimethylbenzimidazol-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for (5,6-dimethylbenzimidazol-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone is Cc1cc2ncn(C(=O)c3c(-c4ccccc4)noc3C)c2cc1C.
What is the InChIKey of (5,6-dimethylbenzimidazol-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The InChIKey is YBVBVVFVNKLFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-12-9-16-17(10-13(12)2)23(11-21-16)20(24)18-14(3)25-22-19(18)15-7-5-4-6-8-15/h4-11H,1-3H3.
What are the key properties of (5,6-dimethylbenzimidazol-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
(5,6-dimethylbenzimidazol-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone has a molecular weight of 331.38 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dimethylbenzimidazol-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 798239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).