1,3-dimethyl-2-(2,4,5-trimethoxyphenyl)-2H-benzimidazole

C18H22N2O3 — CID 755172

IUPAC1,3-dimethyl-2-(2,4,5-trimethoxyphenyl)-2H-benzimidazole
SMILESCOc1cc(OC)c(C2N(C)c3ccccc3N2C)cc1OC
InChIInChI=1S/C18H22N2O3/c1-19-13-8-6-7-9-14(13)20(2)18(19)12-10-16(22-4)17(23-5)11-15(12)21-3/h6-11,18H,1-5H3
InChIKeyFCKBMOLMHRGZRR-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.30
Rot. Bonds4

About 1,3-dimethyl-2-(2,4,5-trimethoxyphenyl)-2H-benzimidazole

1,3-dimethyl-2-(2,4,5-trimethoxyphenyl)-2H-benzimidazole (PubChem CID 755172) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1,3-dimethyl-2-(2,4,5-trimethoxyphenyl)-2H-benzimidazole.

Molecular Properties

Compound Name1,3-dimethyl-2-(2,4,5-trimethoxyphenyl)-2H-benzimidazole
PubChem CID755172
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name1,3-dimethyl-2-(2,4,5-trimethoxyphenyl)-2H-benzimidazole
SMILESCOc1cc(OC)c(C2N(C)c3ccccc3N2C)cc1OC
InChIInChI=1S/C18H22N2O3/c1-19-13-8-6-7-9-14(13)20(2)18(19)12-10-16(22-4)17(23-5)11-15(12)21-3/h6-11,18H,1-5H3
InChIKeyFCKBMOLMHRGZRR-UHFFFAOYSA-N
XLogP3.30
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-(2,4,5-trimethoxyphenyl)-2H-benzimidazole?
The IUPAC name of 1,3-dimethyl-2-(2,4,5-trimethoxyphenyl)-2H-benzimidazole (CID 755172) is 1,3-dimethyl-2-(2,4,5-trimethoxyphenyl)-2H-benzimidazole.
What is the SMILES notation for 1,3-dimethyl-2-(2,4,5-trimethoxyphenyl)-2H-benzimidazole?
The canonical SMILES for 1,3-dimethyl-2-(2,4,5-trimethoxyphenyl)-2H-benzimidazole is COc1cc(OC)c(C2N(C)c3ccccc3N2C)cc1OC.
What is the InChIKey of 1,3-dimethyl-2-(2,4,5-trimethoxyphenyl)-2H-benzimidazole?
The InChIKey is FCKBMOLMHRGZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-19-13-8-6-7-9-14(13)20(2)18(19)12-10-16(22-4)17(23-5)11-15(12)21-3/h6-11,18H,1-5H3.
What are the key properties of 1,3-dimethyl-2-(2,4,5-trimethoxyphenyl)-2H-benzimidazole?
1,3-dimethyl-2-(2,4,5-trimethoxyphenyl)-2H-benzimidazole has a molecular weight of 314.39 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-(2,4,5-trimethoxyphenyl)-2H-benzimidazole is sourced from PubChem (CID 755172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).