2-(3-ethoxy-4-methoxyphenyl)-5-methoxy-1-methylbenzimidazole

C18H20N2O3 — CID 146024274

IUPAC2-(3-ethoxy-4-methoxyphenyl)-5-methoxy-1-methylbenzimidazole
SMILESCCOc1cc(-c2nc3cc(OC)ccc3n2C)ccc1OC
InChIInChI=1S/C18H20N2O3/c1-5-23-17-10-12(6-9-16(17)22-4)18-19-14-11-13(21-3)7-8-15(14)20(18)2/h6-11H,5H2,1-4H3
InChIKeySDYRDNPKQVUHIH-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.66
Rot. Bonds5

About 2-(3-ethoxy-4-methoxyphenyl)-5-methoxy-1-methylbenzimidazole

2-(3-ethoxy-4-methoxyphenyl)-5-methoxy-1-methylbenzimidazole (PubChem CID 146024274) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-(3-ethoxy-4-methoxyphenyl)-5-methoxy-1-methylbenzimidazole.

Molecular Properties

Compound Name2-(3-ethoxy-4-methoxyphenyl)-5-methoxy-1-methylbenzimidazole
PubChem CID146024274
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name2-(3-ethoxy-4-methoxyphenyl)-5-methoxy-1-methylbenzimidazole
SMILESCCOc1cc(-c2nc3cc(OC)ccc3n2C)ccc1OC
InChIInChI=1S/C18H20N2O3/c1-5-23-17-10-12(6-9-16(17)22-4)18-19-14-11-13(21-3)7-8-15(14)20(18)2/h6-11H,5H2,1-4H3
InChIKeySDYRDNPKQVUHIH-UHFFFAOYSA-N
XLogP3.66
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-4-(5-methoxy-1-methylbenzimidazol-2-yl)phenol
CID 146024273
N,N-diethyl-4-(5-methoxy-1-methylbenzimidazol-2-yl)aniline
CID 146024291
2-[2-(3,4-dimethoxyphenyl)-1-methylbenzimidazol-5-yl]acetic acid
CID 82142041
[2-(3-bromo-4-methoxyphenyl)-1-methylbenzimidazol-5-yl]methanamine
CID 65040239
N,N-diethyl-2-(4-methoxyphenyl)-1-methylbenzimidazole-5-sulfonamide
CID 4789393
2-[2-(3-ethoxy-4-methoxyphenyl)benzimidazol-1-yl]acetic acid
CID 20994244
3-(3,4-dimethoxyphenyl)-5-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-1,2,4-triazole
CID 1104186
ethyl 2-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-1-methylbenzimidazole-5-carboxylate
CID 156583438
2-(3,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
CID 17001455
2-(3-ethylsulfonyl-2-pyridinyl)-5-methoxy-1-methylbenzimidazole
CID 118581574
2-methoxy-4-(1-methylbenzimidazol-2-yl)aniline
CID 82354639
2-chloro-5-methoxy-1-methylbenzimidazole
CID 45078585

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-4-methoxyphenyl)-5-methoxy-1-methylbenzimidazole?
The IUPAC name of 2-(3-ethoxy-4-methoxyphenyl)-5-methoxy-1-methylbenzimidazole (CID 146024274) is 2-(3-ethoxy-4-methoxyphenyl)-5-methoxy-1-methylbenzimidazole.
What is the SMILES notation for 2-(3-ethoxy-4-methoxyphenyl)-5-methoxy-1-methylbenzimidazole?
The canonical SMILES for 2-(3-ethoxy-4-methoxyphenyl)-5-methoxy-1-methylbenzimidazole is CCOc1cc(-c2nc3cc(OC)ccc3n2C)ccc1OC.
What is the InChIKey of 2-(3-ethoxy-4-methoxyphenyl)-5-methoxy-1-methylbenzimidazole?
The InChIKey is SDYRDNPKQVUHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-5-23-17-10-12(6-9-16(17)22-4)18-19-14-11-13(21-3)7-8-15(14)20(18)2/h6-11H,5H2,1-4H3.
What are the key properties of 2-(3-ethoxy-4-methoxyphenyl)-5-methoxy-1-methylbenzimidazole?
2-(3-ethoxy-4-methoxyphenyl)-5-methoxy-1-methylbenzimidazole has a molecular weight of 312.37 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-4-methoxyphenyl)-5-methoxy-1-methylbenzimidazole is sourced from PubChem (CID 146024274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).