7-methoxy-1-(2-methoxyethyl)-4-methyl-2-(4-propan-2-ylphenyl)benzimidazole

C21H26N2O2 — CID 11427732

IUPAC7-methoxy-1-(2-methoxyethyl)-4-methyl-2-(4-propan-2-ylphenyl)benzimidazole
SMILESCOCCn1c(-c2ccc(C(C)C)cc2)nc2c(C)ccc(OC)c21
InChIInChI=1S/C21H26N2O2/c1-14(2)16-7-9-17(10-8-16)21-22-19-15(3)6-11-18(25-5)20(19)23(21)12-13-24-4/h6-11,14H,12-13H2,1-5H3
InChIKeyGTCBKQYEIMUGSC-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.79
Rot. Bonds6

About 7-methoxy-1-(2-methoxyethyl)-4-methyl-2-(4-propan-2-ylphenyl)benzimidazole

7-methoxy-1-(2-methoxyethyl)-4-methyl-2-(4-propan-2-ylphenyl)benzimidazole (PubChem CID 11427732) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 7-methoxy-1-(2-methoxyethyl)-4-methyl-2-(4-propan-2-ylphenyl)benzimidazole.

Molecular Properties

Compound Name7-methoxy-1-(2-methoxyethyl)-4-methyl-2-(4-propan-2-ylphenyl)benzimidazole
PubChem CID11427732
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name7-methoxy-1-(2-methoxyethyl)-4-methyl-2-(4-propan-2-ylphenyl)benzimidazole
SMILESCOCCn1c(-c2ccc(C(C)C)cc2)nc2c(C)ccc(OC)c21
InChIInChI=1S/C21H26N2O2/c1-14(2)16-7-9-17(10-8-16)21-22-19-15(3)6-11-18(25-5)20(19)23(21)12-13-24-4/h6-11,14H,12-13H2,1-5H3
InChIKeyGTCBKQYEIMUGSC-UHFFFAOYSA-N
XLogP4.79
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-(2-methoxyethyl)-4-methyl-2-(4-propan-2-ylphenyl)benzimidazole?
The IUPAC name of 7-methoxy-1-(2-methoxyethyl)-4-methyl-2-(4-propan-2-ylphenyl)benzimidazole (CID 11427732) is 7-methoxy-1-(2-methoxyethyl)-4-methyl-2-(4-propan-2-ylphenyl)benzimidazole.
What is the SMILES notation for 7-methoxy-1-(2-methoxyethyl)-4-methyl-2-(4-propan-2-ylphenyl)benzimidazole?
The canonical SMILES for 7-methoxy-1-(2-methoxyethyl)-4-methyl-2-(4-propan-2-ylphenyl)benzimidazole is COCCn1c(-c2ccc(C(C)C)cc2)nc2c(C)ccc(OC)c21.
What is the InChIKey of 7-methoxy-1-(2-methoxyethyl)-4-methyl-2-(4-propan-2-ylphenyl)benzimidazole?
The InChIKey is GTCBKQYEIMUGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-14(2)16-7-9-17(10-8-16)21-22-19-15(3)6-11-18(25-5)20(19)23(21)12-13-24-4/h6-11,14H,12-13H2,1-5H3.
What are the key properties of 7-methoxy-1-(2-methoxyethyl)-4-methyl-2-(4-propan-2-ylphenyl)benzimidazole?
7-methoxy-1-(2-methoxyethyl)-4-methyl-2-(4-propan-2-ylphenyl)benzimidazole has a molecular weight of 338.45 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-(2-methoxyethyl)-4-methyl-2-(4-propan-2-ylphenyl)benzimidazole is sourced from PubChem (CID 11427732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).