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

C25H18ClN3O2 — CID 20930784

IUPAC(4-chlorophenyl)-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]methanone
SMILESCc1oc(-c2ccccc2)nc1Cn1c(C(=O)c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C25H18ClN3O2/c1-16-21(28-25(31-16)18-7-3-2-4-8-18)15-29-22-10-6-5-9-20(22)27-24(29)23(30)17-11-13-19(26)14-12-17/h2-14H,15H2,1H3
InChIKeyFVGWELPVYQKOBA-UHFFFAOYSA-N
MW427.89 g/mol
LogP5.93
Rot. Bonds5

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

(4-chlorophenyl)-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]methanone (PubChem CID 20930784) has the molecular formula C25H18ClN3O2 and a molecular weight of 427.89 g/mol. Its IUPAC name is (4-chlorophenyl)-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]methanone
PubChem CID20930784
Molecular FormulaC25H18ClN3O2
Molecular Weight427.89 g/mol
Exact Mass427.11
IUPAC Name(4-chlorophenyl)-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]methanone
SMILESCc1oc(-c2ccccc2)nc1Cn1c(C(=O)c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C25H18ClN3O2/c1-16-21(28-25(31-16)18-7-3-2-4-8-18)15-29-22-10-6-5-9-20(22)27-24(29)23(30)17-11-13-19(26)14-12-17/h2-14H,15H2,1H3
InChIKeyFVGWELPVYQKOBA-UHFFFAOYSA-N
XLogP5.93
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.89
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]methanone (CID 20930784) is (4-chlorophenyl)-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]methanone is Cc1oc(-c2ccccc2)nc1Cn1c(C(=O)c2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of (4-chlorophenyl)-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]methanone?
The InChIKey is FVGWELPVYQKOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClN3O2/c1-16-21(28-25(31-16)18-7-3-2-4-8-18)15-29-22-10-6-5-9-20(22)27-24(29)23(30)17-11-13-19(26)14-12-17/h2-14H,15H2,1H3.
What are the key properties of (4-chlorophenyl)-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]methanone?
(4-chlorophenyl)-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]methanone has a molecular weight of 427.89 g/mol, XLogP of 5.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]methanone is sourced from PubChem (CID 20930784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).