2-(2-phenylbenzimidazol-1-yl)ethyl 3,5-dimethoxybenzoate

C24H22N2O4 — CID 58974470

IUPAC2-(2-phenylbenzimidazol-1-yl)ethyl 3,5-dimethoxybenzoate
SMILESCOc1cc(OC)cc(C(=O)OCCn2c(-c3ccccc3)nc3ccccc32)c1
InChIInChI=1S/C24H22N2O4/c1-28-19-14-18(15-20(16-19)29-2)24(27)30-13-12-26-22-11-7-6-10-21(22)25-23(26)17-8-4-3-5-9-17/h3-11,14-16H,12-13H2,1-2H3
InChIKeyBEQUIWRCKAMWOL-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.58
Rot. Bonds7

About 2-(2-phenylbenzimidazol-1-yl)ethyl 3,5-dimethoxybenzoate

2-(2-phenylbenzimidazol-1-yl)ethyl 3,5-dimethoxybenzoate (PubChem CID 58974470) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-(2-phenylbenzimidazol-1-yl)ethyl 3,5-dimethoxybenzoate.

Molecular Properties

Compound Name2-(2-phenylbenzimidazol-1-yl)ethyl 3,5-dimethoxybenzoate
PubChem CID58974470
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name2-(2-phenylbenzimidazol-1-yl)ethyl 3,5-dimethoxybenzoate
SMILESCOc1cc(OC)cc(C(=O)OCCn2c(-c3ccccc3)nc3ccccc32)c1
InChIInChI=1S/C24H22N2O4/c1-28-19-14-18(15-20(16-19)29-2)24(27)30-13-12-26-22-11-7-6-10-21(22)25-23(26)17-8-4-3-5-9-17/h3-11,14-16H,12-13H2,1-2H3
InChIKeyBEQUIWRCKAMWOL-UHFFFAOYSA-N
XLogP4.58
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-phenylbenzimidazol-1-yl)ethyl 4-methoxybenzoate
CID 58974418
1-[2-(4-methoxyphenoxy)ethyl]-2-phenylbenzimidazole
CID 17000523
5-[2-(4-methoxyphenyl)benzimidazol-1-yl]pentanoic acid
CID 57458903
1-(2-ethoxyethyl)-2-(4-methoxyphenyl)benzimidazole
CID 3507993
2-(4-methoxyphenyl)-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 18879179
ethyl 4-(2-phenylbenzimidazol-1-yl)butanoate
CID 155778333
3-[2-(4-methoxyphenyl)benzimidazol-1-yl]propanethioamide
CID 94756512
2-(4-methoxyphenyl)-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 17001320
2-(3-methoxyphenyl)-1-pentylbenzimidazole
CID 17001673
1-[3-(3,5-dimethylphenoxy)propyl]-2-(4-methoxyphenyl)benzimidazole
CID 17001345
1-[2-(2,6-dimethylphenoxy)ethyl]-2-(3-methoxyphenyl)benzimidazole
CID 17001717
3-[2-(3-methoxyphenyl)benzimidazol-1-yl]propanethioamide
CID 94756511

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylbenzimidazol-1-yl)ethyl 3,5-dimethoxybenzoate?
The IUPAC name of 2-(2-phenylbenzimidazol-1-yl)ethyl 3,5-dimethoxybenzoate (CID 58974470) is 2-(2-phenylbenzimidazol-1-yl)ethyl 3,5-dimethoxybenzoate.
What is the SMILES notation for 2-(2-phenylbenzimidazol-1-yl)ethyl 3,5-dimethoxybenzoate?
The canonical SMILES for 2-(2-phenylbenzimidazol-1-yl)ethyl 3,5-dimethoxybenzoate is COc1cc(OC)cc(C(=O)OCCn2c(-c3ccccc3)nc3ccccc32)c1.
What is the InChIKey of 2-(2-phenylbenzimidazol-1-yl)ethyl 3,5-dimethoxybenzoate?
The InChIKey is BEQUIWRCKAMWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-28-19-14-18(15-20(16-19)29-2)24(27)30-13-12-26-22-11-7-6-10-21(22)25-23(26)17-8-4-3-5-9-17/h3-11,14-16H,12-13H2,1-2H3.
What are the key properties of 2-(2-phenylbenzimidazol-1-yl)ethyl 3,5-dimethoxybenzoate?
2-(2-phenylbenzimidazol-1-yl)ethyl 3,5-dimethoxybenzoate has a molecular weight of 402.45 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylbenzimidazol-1-yl)ethyl 3,5-dimethoxybenzoate is sourced from PubChem (CID 58974470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).