(3-fluorophenyl)-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]methanone

C25H18FN3O2 — CID 46289006

IUPAC(3-fluorophenyl)-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]methanone
SMILESCc1oc(-c2ccccc2)nc1Cn1c(C(=O)c2cccc(F)c2)nc2ccccc21
InChIInChI=1S/C25H18FN3O2/c1-16-21(28-25(31-16)17-8-3-2-4-9-17)15-29-22-13-6-5-12-20(22)27-24(29)23(30)18-10-7-11-19(26)14-18/h2-14H,15H2,1H3
InChIKeyNVXDJSWORTWMHJ-UHFFFAOYSA-N
MW411.44 g/mol
LogP5.42
Rot. Bonds5

About (3-fluorophenyl)-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]methanone

(3-fluorophenyl)-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]methanone (PubChem CID 46289006) has the molecular formula C25H18FN3O2 and a molecular weight of 411.44 g/mol. Its IUPAC name is (3-fluorophenyl)-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]methanone
PubChem CID46289006
Molecular FormulaC25H18FN3O2
Molecular Weight411.44 g/mol
Exact Mass411.14
IUPAC Name(3-fluorophenyl)-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]methanone
SMILESCc1oc(-c2ccccc2)nc1Cn1c(C(=O)c2cccc(F)c2)nc2ccccc21
InChIInChI=1S/C25H18FN3O2/c1-16-21(28-25(31-16)17-8-3-2-4-9-17)15-29-22-13-6-5-12-20(22)27-24(29)23(30)18-10-7-11-19(26)14-18/h2-14H,15H2,1H3
InChIKeyNVXDJSWORTWMHJ-UHFFFAOYSA-N
XLogP5.42
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.44
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-fluorophenyl)-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]methanone with MolForge

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Related Compounds

2-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-benzoxazol-4-amine
CID 66679503
2-(3-Fluorophenyl)-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine
CID 71256288
2-(4-Fluorophenyl)-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine
CID 71256332
[2-Methyl-5-(1-methylbenzimidazol-2-yl)furan-3-yl]-phenylmethanone
CID 874125
1,3-dibenzyl-2-(5-bromo-2-furyl)-3H-benzimidazole
CID 3113786
2-(2-Fluorophenyl)-4-[(2-{[(2-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-C]pyridin-3-YL)methyl]-5-methyl-1,3-oxazole
CID 16011840
4-[(2-{[(4-Fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-B]pyridin-3-YL)methyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole
CID 16020999
2-benzyl-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-5-carboxamide
CID 24790720
2-[(E)-2-[4-(3-imidazol-1-ylpropoxy)phenyl]ethenyl]-1,3-benzoxazole;hydrate;hydrochloride
CID 49860296
2-[(E)-2-[4-(4-imidazol-1-ylbutoxy)phenyl]ethenyl]-1,3-benzoxazole;hydrate;hydrochloride
CID 49860333
2-(2-Fluorophenyl)-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine
CID 71769421
2-(2-Fluorophenyl)-5-[[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]methyl]-1,3,4-oxadiazole
CID 156016511

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]methanone (CID 46289006) is (3-fluorophenyl)-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]methanone is Cc1oc(-c2ccccc2)nc1Cn1c(C(=O)c2cccc(F)c2)nc2ccccc21.
What is the InChIKey of (3-fluorophenyl)-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]methanone?
The InChIKey is NVXDJSWORTWMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN3O2/c1-16-21(28-25(31-16)17-8-3-2-4-9-17)15-29-22-13-6-5-12-20(22)27-24(29)23(30)18-10-7-11-19(26)14-18/h2-14H,15H2,1H3.
What are the key properties of (3-fluorophenyl)-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]methanone?
(3-fluorophenyl)-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]methanone has a molecular weight of 411.44 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]methanone is sourced from PubChem (CID 46289006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).