5-[5-[2-(2-chlorophenyl)-6-fluoro-1-methylbenzimidazol-4-yl]-2-pyridinyl]-2,4-dimethyl-1,3-oxazole

C24H18ClFN4O — CID 91463956

IUPAC5-[5-[2-(2-chlorophenyl)-6-fluoro-1-methylbenzimidazol-4-yl]-2-pyridinyl]-2,4-dimethyl-1,3-oxazole
SMILESCc1nc(C)c(-c2ccc(-c3cc(F)cc4c3nc(-c3ccccc3Cl)n4C)cn2)o1
InChIInChI=1S/C24H18ClFN4O/c1-13-23(31-14(2)28-13)20-9-8-15(12-27-20)18-10-16(26)11-21-22(18)29-24(30(21)3)17-6-4-5-7-19(17)25/h4-12H,1-3H3
InChIKeyDUIOVEAJPFJNFB-UHFFFAOYSA-N
MW432.89 g/mol
LogP6.37
Rot. Bonds3

About 5-[5-[2-(2-chlorophenyl)-6-fluoro-1-methylbenzimidazol-4-yl]-2-pyridinyl]-2,4-dimethyl-1,3-oxazole

5-[5-[2-(2-chlorophenyl)-6-fluoro-1-methylbenzimidazol-4-yl]-2-pyridinyl]-2,4-dimethyl-1,3-oxazole (PubChem CID 91463956) has the molecular formula C24H18ClFN4O and a molecular weight of 432.89 g/mol. Its IUPAC name is 5-[5-[2-(2-chlorophenyl)-6-fluoro-1-methylbenzimidazol-4-yl]-2-pyridinyl]-2,4-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name5-[5-[2-(2-chlorophenyl)-6-fluoro-1-methylbenzimidazol-4-yl]-2-pyridinyl]-2,4-dimethyl-1,3-oxazole
PubChem CID91463956
Molecular FormulaC24H18ClFN4O
Molecular Weight432.89 g/mol
Exact Mass432.12
IUPAC Name5-[5-[2-(2-chlorophenyl)-6-fluoro-1-methylbenzimidazol-4-yl]-2-pyridinyl]-2,4-dimethyl-1,3-oxazole
SMILESCc1nc(C)c(-c2ccc(-c3cc(F)cc4c3nc(-c3ccccc3Cl)n4C)cn2)o1
InChIInChI=1S/C24H18ClFN4O/c1-13-23(31-14(2)28-13)20-9-8-15(12-27-20)18-10-16(26)11-21-22(18)29-24(30(21)3)17-6-4-5-7-19(17)25/h4-12H,1-3H3
InChIKeyDUIOVEAJPFJNFB-UHFFFAOYSA-N
XLogP6.37
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.89
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[2-(2-chlorophenyl)-6-fluoro-1-methylbenzimidazol-4-yl]-2-pyridinyl]-2,4-dimethyl-1,3-oxazole?
The IUPAC name of 5-[5-[2-(2-chlorophenyl)-6-fluoro-1-methylbenzimidazol-4-yl]-2-pyridinyl]-2,4-dimethyl-1,3-oxazole (CID 91463956) is 5-[5-[2-(2-chlorophenyl)-6-fluoro-1-methylbenzimidazol-4-yl]-2-pyridinyl]-2,4-dimethyl-1,3-oxazole.
What is the SMILES notation for 5-[5-[2-(2-chlorophenyl)-6-fluoro-1-methylbenzimidazol-4-yl]-2-pyridinyl]-2,4-dimethyl-1,3-oxazole?
The canonical SMILES for 5-[5-[2-(2-chlorophenyl)-6-fluoro-1-methylbenzimidazol-4-yl]-2-pyridinyl]-2,4-dimethyl-1,3-oxazole is Cc1nc(C)c(-c2ccc(-c3cc(F)cc4c3nc(-c3ccccc3Cl)n4C)cn2)o1.
What is the InChIKey of 5-[5-[2-(2-chlorophenyl)-6-fluoro-1-methylbenzimidazol-4-yl]-2-pyridinyl]-2,4-dimethyl-1,3-oxazole?
The InChIKey is DUIOVEAJPFJNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN4O/c1-13-23(31-14(2)28-13)20-9-8-15(12-27-20)18-10-16(26)11-21-22(18)29-24(30(21)3)17-6-4-5-7-19(17)25/h4-12H,1-3H3.
What are the key properties of 5-[5-[2-(2-chlorophenyl)-6-fluoro-1-methylbenzimidazol-4-yl]-2-pyridinyl]-2,4-dimethyl-1,3-oxazole?
5-[5-[2-(2-chlorophenyl)-6-fluoro-1-methylbenzimidazol-4-yl]-2-pyridinyl]-2,4-dimethyl-1,3-oxazole has a molecular weight of 432.89 g/mol, XLogP of 6.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[2-(2-chlorophenyl)-6-fluoro-1-methylbenzimidazol-4-yl]-2-pyridinyl]-2,4-dimethyl-1,3-oxazole is sourced from PubChem (CID 91463956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).