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

C20H19N3O2 — CID 168554839

IUPAC4-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1ccc(-c2nc3ccccc3[nH]2)cc1Cc1c(C)noc1C
InChIInChI=1S/C20H19N3O2/c1-12-16(13(2)25-23-12)11-15-10-14(8-9-19(15)24-3)20-21-17-6-4-5-7-18(17)22-20/h4-10H,11H2,1-3H3,(H,21,22)
InChIKeyWRJZFSPYMJKVNM-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.43
Rot. Bonds4

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

4-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 168554839) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methyl]-3,5-dimethyl-1,2-oxazole
PubChem CID168554839
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name4-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1ccc(-c2nc3ccccc3[nH]2)cc1Cc1c(C)noc1C
InChIInChI=1S/C20H19N3O2/c1-12-16(13(2)25-23-12)11-15-10-14(8-9-19(15)24-3)20-21-17-6-4-5-7-18(17)22-20/h4-10H,11H2,1-3H3,(H,21,22)
InChIKeyWRJZFSPYMJKVNM-UHFFFAOYSA-N
XLogP4.43
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-1H-benzimidazole
CID 168554144
2-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole
CID 168555101
7-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methoxy]quinoline
CID 168554862
2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1H-benzimidazole
CID 19224116
2-[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole
CID 168554164
2-[3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole
CID 168554121
4-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methyl]thiomorpholine
CID 168554741
2-[4-methoxy-3-[(4-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole
CID 168554818
2-(4-methoxy-3-propoxyphenyl)-1H-benzimidazole
CID 110539403
4-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyphenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586541
2-(6-methoxynaphthalen-2-yl)-1H-benzimidazole
CID 56925290
1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyphenyl]propan-2-amine
CID 170864865

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methyl]-3,5-dimethyl-1,2-oxazole (CID 168554839) is 4-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methyl]-3,5-dimethyl-1,2-oxazole is COc1ccc(-c2nc3ccccc3[nH]2)cc1Cc1c(C)noc1C.
What is the InChIKey of 4-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is WRJZFSPYMJKVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-12-16(13(2)25-23-12)11-15-10-14(8-9-19(15)24-3)20-21-17-6-4-5-7-18(17)22-20/h4-10H,11H2,1-3H3,(H,21,22).
What are the key properties of 4-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methyl]-3,5-dimethyl-1,2-oxazole?
4-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 333.39 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 168554839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).