4-[[2-(1H-benzimidazol-2-yl)phenoxy]methyl]-2-(2-chlorophenyl)-5-methyl-1,3-oxazole

C24H18ClN3O2 — CID 168555303

IUPAC4-[[2-(1H-benzimidazol-2-yl)phenoxy]methyl]-2-(2-chlorophenyl)-5-methyl-1,3-oxazole
SMILESCc1oc(-c2ccccc2Cl)nc1COc1ccccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C24H18ClN3O2/c1-15-21(28-24(30-15)16-8-2-4-10-18(16)25)14-29-22-13-7-3-9-17(22)23-26-19-11-5-6-12-20(19)27-23/h2-13H,14H2,1H3,(H,26,27)
InChIKeyWYJOCOCWSNJZCQ-UHFFFAOYSA-N
MW415.88 g/mol
LogP6.43
Rot. Bonds5

About 4-[[2-(1H-benzimidazol-2-yl)phenoxy]methyl]-2-(2-chlorophenyl)-5-methyl-1,3-oxazole

4-[[2-(1H-benzimidazol-2-yl)phenoxy]methyl]-2-(2-chlorophenyl)-5-methyl-1,3-oxazole (PubChem CID 168555303) has the molecular formula C24H18ClN3O2 and a molecular weight of 415.88 g/mol. Its IUPAC name is 4-[[2-(1H-benzimidazol-2-yl)phenoxy]methyl]-2-(2-chlorophenyl)-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-[[2-(1H-benzimidazol-2-yl)phenoxy]methyl]-2-(2-chlorophenyl)-5-methyl-1,3-oxazole
PubChem CID168555303
Molecular FormulaC24H18ClN3O2
Molecular Weight415.88 g/mol
Exact Mass415.11
IUPAC Name4-[[2-(1H-benzimidazol-2-yl)phenoxy]methyl]-2-(2-chlorophenyl)-5-methyl-1,3-oxazole
SMILESCc1oc(-c2ccccc2Cl)nc1COc1ccccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C24H18ClN3O2/c1-15-21(28-24(30-15)16-8-2-4-10-18(16)25)14-29-22-13-7-3-9-17(22)23-26-19-11-5-6-12-20(19)27-23/h2-13H,14H2,1H3,(H,26,27)
InChIKeyWYJOCOCWSNJZCQ-UHFFFAOYSA-N
XLogP6.43
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.88
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-3H-quinazolin-4-one
CID 168552796
2-amino-4-[2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407330
2-[2-[5-[2-(1H-benzimidazol-2-yl)phenoxy]pentoxy]phenyl]-1H-benzimidazole
CID 25255578
2-[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-1H-benzimidazole
CID 168554744
2-[2-(3-methylbutoxy)phenyl]-1H-benzimidazole
CID 168554417
3-[2-(1H-benzimidazol-2-yl)phenoxy]-N,N-dimethylpropan-1-amine
CID 168554276
2-[2-(2-piperidin-1-ylethoxy)phenyl]-1H-benzimidazole
CID 42632541
2-[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-1H-benzimidazole
CID 168555028
2-[2-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-1H-benzimidazole
CID 168555036
2-(4-chloro-2,5-dimethylphenyl)-1H-benzimidazole
CID 168554186
2-[2-(2,3-dichlorophenyl)phenyl]-1H-benzimidazole
CID 134336861
2-[2-(3-chloro-2-pyridinyl)phenyl]-1H-benzimidazole
CID 129162881

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1H-benzimidazol-2-yl)phenoxy]methyl]-2-(2-chlorophenyl)-5-methyl-1,3-oxazole?
The IUPAC name of 4-[[2-(1H-benzimidazol-2-yl)phenoxy]methyl]-2-(2-chlorophenyl)-5-methyl-1,3-oxazole (CID 168555303) is 4-[[2-(1H-benzimidazol-2-yl)phenoxy]methyl]-2-(2-chlorophenyl)-5-methyl-1,3-oxazole.
What is the SMILES notation for 4-[[2-(1H-benzimidazol-2-yl)phenoxy]methyl]-2-(2-chlorophenyl)-5-methyl-1,3-oxazole?
The canonical SMILES for 4-[[2-(1H-benzimidazol-2-yl)phenoxy]methyl]-2-(2-chlorophenyl)-5-methyl-1,3-oxazole is Cc1oc(-c2ccccc2Cl)nc1COc1ccccc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 4-[[2-(1H-benzimidazol-2-yl)phenoxy]methyl]-2-(2-chlorophenyl)-5-methyl-1,3-oxazole?
The InChIKey is WYJOCOCWSNJZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O2/c1-15-21(28-24(30-15)16-8-2-4-10-18(16)25)14-29-22-13-7-3-9-17(22)23-26-19-11-5-6-12-20(19)27-23/h2-13H,14H2,1H3,(H,26,27).
What are the key properties of 4-[[2-(1H-benzimidazol-2-yl)phenoxy]methyl]-2-(2-chlorophenyl)-5-methyl-1,3-oxazole?
4-[[2-(1H-benzimidazol-2-yl)phenoxy]methyl]-2-(2-chlorophenyl)-5-methyl-1,3-oxazole has a molecular weight of 415.88 g/mol, XLogP of 6.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1H-benzimidazol-2-yl)phenoxy]methyl]-2-(2-chlorophenyl)-5-methyl-1,3-oxazole is sourced from PubChem (CID 168555303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).