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

C20H19N3O2 — CID 90667409

IUPAC4-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1ccc(Cn2cnc3ccc(-c4c(C)noc4C)cc32)cc1
InChIInChI=1S/C20H19N3O2/c1-13-20(14(2)25-22-13)16-6-9-18-19(10-16)23(12-21-18)11-15-4-7-17(24-3)8-5-15/h4-10,12H,11H2,1-3H3
InChIKeyXQTABMGRPLUTBC-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.37
Rot. Bonds4

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

4-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 90667409) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID90667409
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name4-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1ccc(Cn2cnc3ccc(-c4c(C)noc4C)cc32)cc1
InChIInChI=1S/C20H19N3O2/c1-13-20(14(2)25-22-13)16-6-9-18-19(10-16)23(12-21-18)11-15-4-7-17(24-3)8-5-15/h4-10,12H,11H2,1-3H3
InChIKeyXQTABMGRPLUTBC-UHFFFAOYSA-N
XLogP4.37
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Sgc-cbp30
CID 72201027
PF-Cbp1
CID 119081417
5-(3,5-Dimethyl-1,2-Oxazol-4-Yl)-1-[2-(Morpholin-4-Yl)ethyl]-2-(2-Phenylethyl)-1h-Benzimidazole
CID 72201025
5-(3,5-Dimethyl-1,2-Oxazol-4-Yl)-2-[2-(4-Methoxyphenyl)ethyl]-1-[2-(Morpholin-4-Yl)ethyl]-1h-Benzimidazole
CID 121237855
3-(4-(2-(5-(3,5-Dimethyl-4-isoxazolyl)-1-(2-(4-morpholinyl)ethyl)-1H-benzimidazol-2-yl)ethyl)phenoxy)-N,N-dimethyl-1-propanamine
CID 121237857
Ketone, 1-(2-(diethylamino)ethyl)-2-(p-ethoxybenzyl)-5-benzimidazolyl methyl
CID 25957
4-[2-[5-(3,5-Dimethyl-1,2-oxazol-4-yl)-2-[2-(4-ethoxyphenyl)ethyl]benzimidazol-1-yl]ethyl]morpholine
CID 137319664
1-(4-Chlorobenzyl)-5-(3,5-Dimethyl-1,2-Oxazol-4-Yl)-1h-Benzimidazole
CID 72201024
2-(1-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxazol-6-yloxy)propyl)-1H-benzo[d]imidazol-5-yl)acetic acid
CID 11655554
3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-phenylethyl]-5,6-dihydro-4H-[1,2]oxazolo[3,4-b]pyridine
CID 53319361
7-[(4-fluorophenyl)methyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5,6-dihydro-4H-[1,2]oxazolo[3,4-b]pyridine
CID 53319362
7-[(3,5-difluorophenyl)methyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5,6-dihydro-4H-[1,2]oxazolo[3,4-b]pyridine
CID 53319363

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (CID 90667409) is 4-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is COc1ccc(Cn2cnc3ccc(-c4c(C)noc4C)cc32)cc1.
What is the InChIKey of 4-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is XQTABMGRPLUTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-13-20(14(2)25-22-13)16-6-9-18-19(10-16)23(12-21-18)11-15-4-7-17(24-3)8-5-15/h4-10,12H,11H2,1-3H3.
What are the key properties of 4-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
4-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 333.39 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 90667409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).