methane;4-[7-(4-methoxy-3-pyridinyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

C20H22N4O2 — CID 158678498

IUPACmethane;4-[7-(4-methoxy-3-pyridinyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESC.COc1ccncc1-c1cc(-c2c(C)noc2C)cc2[nH]c(C)nc12
InChIInChI=1S/C19H18N4O2.CH4/c1-10-18(11(2)25-23-10)13-7-14(15-9-20-6-5-17(15)24-4)19-16(8-13)21-12(3)22-19;/h5-9H,1-4H3,(H,21,22);1H4
InChIKeyIEUZTDIJKLLJIO-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.85
Rot. Bonds3

About methane;4-[7-(4-methoxy-3-pyridinyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

methane;4-[7-(4-methoxy-3-pyridinyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 158678498) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is methane;4-[7-(4-methoxy-3-pyridinyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Namemethane;4-[7-(4-methoxy-3-pyridinyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID158678498
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Namemethane;4-[7-(4-methoxy-3-pyridinyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESC.COc1ccncc1-c1cc(-c2c(C)noc2C)cc2[nH]c(C)nc12
InChIInChI=1S/C19H18N4O2.CH4/c1-10-18(11(2)25-23-10)13-7-14(15-9-20-6-5-17(15)24-4)19-16(8-13)21-12(3)22-19;/h5-9H,1-4H3,(H,21,22);1H4
InChIKeyIEUZTDIJKLLJIO-UHFFFAOYSA-N
XLogP4.85
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-4-[2-methyl-7-(3-methyl-1,2-thiazol-4-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;methane
CID 159721268
4-[7-(2-ethoxy-3-pyridinyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;methane
CID 158037863
4-[7-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;methane
CID 159241514
4-[2-butan-2-yl-7-(4-methyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 144744363
3,5-dimethyl-4-[7-(4-methyl-3-pyridinyl)-2-pyrrolidin-1-yl-3H-benzimidazol-5-yl]-1,2-oxazole
CID 121434478
4-[7-(2-methoxy-5-methylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 121293042
3,5-dimethyl-4-[2-methyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;4-(7-iodo-2-methyl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole
CID 159395312
4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethyl-1H-benzimidazol-2-amine
CID 121293110
CID 159367437
CID 159367437
3-[2-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methylbenzonitrile
CID 121442754
4-(1H-indazol-6-yl)-3,5-dimethyl-1,2-oxazole
CID 118937091
4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenol
CID 53220724

Frequently Asked Questions

What is the IUPAC name of methane;4-[7-(4-methoxy-3-pyridinyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of methane;4-[7-(4-methoxy-3-pyridinyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (CID 158678498) is methane;4-[7-(4-methoxy-3-pyridinyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for methane;4-[7-(4-methoxy-3-pyridinyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for methane;4-[7-(4-methoxy-3-pyridinyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is C.COc1ccncc1-c1cc(-c2c(C)noc2C)cc2[nH]c(C)nc12.
What is the InChIKey of methane;4-[7-(4-methoxy-3-pyridinyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is IEUZTDIJKLLJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2.CH4/c1-10-18(11(2)25-23-10)13-7-14(15-9-20-6-5-17(15)24-4)19-16(8-13)21-12(3)22-19;/h5-9H,1-4H3,(H,21,22);1H4.
What are the key properties of methane;4-[7-(4-methoxy-3-pyridinyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
methane;4-[7-(4-methoxy-3-pyridinyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 350.42 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-[7-(4-methoxy-3-pyridinyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 158678498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).