4-[3-[(3-bromophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

C19H16BrN3O — CID 90667407

IUPAC4-[3-[(3-bromophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc2ncn(Cc3cccc(Br)c3)c2c1
InChIInChI=1S/C19H16BrN3O/c1-12-19(13(2)24-22-12)15-6-7-17-18(9-15)23(11-21-17)10-14-4-3-5-16(20)8-14/h3-9,11H,10H2,1-2H3
InChIKeySCZVEVXMKVBFTM-UHFFFAOYSA-N
MW382.26 g/mol
LogP5.12
Rot. Bonds3

About 4-[3-[(3-bromophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

4-[3-[(3-bromophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 90667407) has the molecular formula C19H16BrN3O and a molecular weight of 382.26 g/mol. Its IUPAC name is 4-[3-[(3-bromophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[3-[(3-bromophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID90667407
Molecular FormulaC19H16BrN3O
Molecular Weight382.26 g/mol
Exact Mass381.05
IUPAC Name4-[3-[(3-bromophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc2ncn(Cc3cccc(Br)c3)c2c1
InChIInChI=1S/C19H16BrN3O/c1-12-19(13(2)24-22-12)15-6-7-17-18(9-15)23(11-21-17)10-14-4-3-5-16(20)8-14/h3-9,11H,10H2,1-2H3
InChIKeySCZVEVXMKVBFTM-UHFFFAOYSA-N
XLogP5.12
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.26
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3-bromophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[3-[(3-bromophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (CID 90667407) is 4-[3-[(3-bromophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[3-[(3-bromophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[3-[(3-bromophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1ccc2ncn(Cc3cccc(Br)c3)c2c1.
What is the InChIKey of 4-[3-[(3-bromophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is SCZVEVXMKVBFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O/c1-12-19(13(2)24-22-12)15-6-7-17-18(9-15)23(11-21-17)10-14-4-3-5-16(20)8-14/h3-9,11H,10H2,1-2H3.
What are the key properties of 4-[3-[(3-bromophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
4-[3-[(3-bromophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 382.26 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3-bromophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 90667407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).