1-(4-hydroxy-3-methoxyphenyl)-2-[2-(1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]ethanone

C18H14N4O4 — CID 141171746

IUPAC1-(4-hydroxy-3-methoxyphenyl)-2-[2-(1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]ethanone
SMILESCOc1cc(C(=O)Cn2c(-c3cnon3)nc3ccccc32)ccc1O
InChIInChI=1S/C18H14N4O4/c1-25-17-8-11(6-7-15(17)23)16(24)10-22-14-5-3-2-4-12(14)20-18(22)13-9-19-26-21-13/h2-9,23H,10H2,1H3
InChIKeySRWMAJZGWUMVIT-UHFFFAOYSA-N
MW350.33 g/mol
LogP2.68
Rot. Bonds5

About 1-(4-hydroxy-3-methoxyphenyl)-2-[2-(1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]ethanone

1-(4-hydroxy-3-methoxyphenyl)-2-[2-(1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]ethanone (PubChem CID 141171746) has the molecular formula C18H14N4O4 and a molecular weight of 350.33 g/mol. Its IUPAC name is 1-(4-hydroxy-3-methoxyphenyl)-2-[2-(1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-hydroxy-3-methoxyphenyl)-2-[2-(1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]ethanone
PubChem CID141171746
Molecular FormulaC18H14N4O4
Molecular Weight350.33 g/mol
Exact Mass350.10
IUPAC Name1-(4-hydroxy-3-methoxyphenyl)-2-[2-(1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]ethanone
SMILESCOc1cc(C(=O)Cn2c(-c3cnon3)nc3ccccc32)ccc1O
InChIInChI=1S/C18H14N4O4/c1-25-17-8-11(6-7-15(17)23)16(24)10-22-14-5-3-2-4-12(14)20-18(22)13-9-19-26-21-13/h2-9,23H,10H2,1H3
InChIKeySRWMAJZGWUMVIT-UHFFFAOYSA-N
XLogP2.68
TPSA103.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(3,4-dimethoxyphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone
CID 21179267
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
CID 135613980
1,3-bis(4-hydroxy-3-methoxyphenyl)propane-1,3-dione
CID 143339753
4-ethoxy-3-methoxy-N'-[2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetyl]benzohydrazide
CID 24514973
2-[2-(3-ethoxy-4-methoxyphenyl)benzimidazol-1-yl]acetic acid
CID 20994244
1-ethyl-3-(3,4,5-trimethoxybenzoyl)quinoxalin-2-one
CID 162660811
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-1-(3,4-dimethylphenyl)ethanone
CID 84571634
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 136801937
3,4-dimethoxy-N-[(1-phenacylbenzimidazol-2-yl)methyl]benzamide
CID 17008517
2-[2-(2,5-dimethoxyphenyl)benzimidazol-1-yl]acetic acid
CID 86717111
1-(4-chlorophenyl)-2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]ethanone
CID 16997569
2-[2-(2-methoxynaphthalen-1-yl)benzimidazol-1-yl]acetic acid
CID 20989602

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3-methoxyphenyl)-2-[2-(1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]ethanone?
The IUPAC name of 1-(4-hydroxy-3-methoxyphenyl)-2-[2-(1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]ethanone (CID 141171746) is 1-(4-hydroxy-3-methoxyphenyl)-2-[2-(1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]ethanone.
What is the SMILES notation for 1-(4-hydroxy-3-methoxyphenyl)-2-[2-(1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]ethanone?
The canonical SMILES for 1-(4-hydroxy-3-methoxyphenyl)-2-[2-(1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]ethanone is COc1cc(C(=O)Cn2c(-c3cnon3)nc3ccccc32)ccc1O.
What is the InChIKey of 1-(4-hydroxy-3-methoxyphenyl)-2-[2-(1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]ethanone?
The InChIKey is SRWMAJZGWUMVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O4/c1-25-17-8-11(6-7-15(17)23)16(24)10-22-14-5-3-2-4-12(14)20-18(22)13-9-19-26-21-13/h2-9,23H,10H2,1H3.
What are the key properties of 1-(4-hydroxy-3-methoxyphenyl)-2-[2-(1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]ethanone?
1-(4-hydroxy-3-methoxyphenyl)-2-[2-(1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]ethanone has a molecular weight of 350.33 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3-methoxyphenyl)-2-[2-(1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]ethanone is sourced from PubChem (CID 141171746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).