methyl 1-cyclopentyl-2-[3-(2-methoxyethyl)-2-oxo-1H-benzimidazol-4-yl]benzimidazole-5-carboxylate

C24H26N4O4 — CID 58217250

IUPACmethyl 1-cyclopentyl-2-[3-(2-methoxyethyl)-2-oxo-1H-benzimidazol-4-yl]benzimidazole-5-carboxylate
SMILESCOCCn1c(=O)[nH]c2cccc(-c3nc4cc(C(=O)OC)ccc4n3C3CCCC3)c21
InChIInChI=1S/C24H26N4O4/c1-31-13-12-27-21-17(8-5-9-18(21)26-24(27)30)22-25-19-14-15(23(29)32-2)10-11-20(19)28(22)16-6-3-4-7-16/h5,8-11,14,16H,3-4,6-7,12-13H2,1-2H3,(H,26,30)
InChIKeyAKFPKLWNIPVCHZ-UHFFFAOYSA-N
MW434.50 g/mol
LogP3.89
Rot. Bonds6

About methyl 1-cyclopentyl-2-[3-(2-methoxyethyl)-2-oxo-1H-benzimidazol-4-yl]benzimidazole-5-carboxylate

methyl 1-cyclopentyl-2-[3-(2-methoxyethyl)-2-oxo-1H-benzimidazol-4-yl]benzimidazole-5-carboxylate (PubChem CID 58217250) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is methyl 1-cyclopentyl-2-[3-(2-methoxyethyl)-2-oxo-1H-benzimidazol-4-yl]benzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-cyclopentyl-2-[3-(2-methoxyethyl)-2-oxo-1H-benzimidazol-4-yl]benzimidazole-5-carboxylate
PubChem CID58217250
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Namemethyl 1-cyclopentyl-2-[3-(2-methoxyethyl)-2-oxo-1H-benzimidazol-4-yl]benzimidazole-5-carboxylate
SMILESCOCCn1c(=O)[nH]c2cccc(-c3nc4cc(C(=O)OC)ccc4n3C3CCCC3)c21
InChIInChI=1S/C24H26N4O4/c1-31-13-12-27-21-17(8-5-9-18(21)26-24(27)30)22-25-19-14-15(23(29)32-2)10-11-20(19)28(22)16-6-3-4-7-16/h5,8-11,14,16H,3-4,6-7,12-13H2,1-2H3,(H,26,30)
InChIKeyAKFPKLWNIPVCHZ-UHFFFAOYSA-N
XLogP3.89
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 1-cyclopentyl-2-[3-(2-methoxyethyl)-2-oxo-1H-benzimidazol-4-yl]benzimidazole-5-carboxylate?
The IUPAC name of methyl 1-cyclopentyl-2-[3-(2-methoxyethyl)-2-oxo-1H-benzimidazol-4-yl]benzimidazole-5-carboxylate (CID 58217250) is methyl 1-cyclopentyl-2-[3-(2-methoxyethyl)-2-oxo-1H-benzimidazol-4-yl]benzimidazole-5-carboxylate.
What is the SMILES notation for methyl 1-cyclopentyl-2-[3-(2-methoxyethyl)-2-oxo-1H-benzimidazol-4-yl]benzimidazole-5-carboxylate?
The canonical SMILES for methyl 1-cyclopentyl-2-[3-(2-methoxyethyl)-2-oxo-1H-benzimidazol-4-yl]benzimidazole-5-carboxylate is COCCn1c(=O)[nH]c2cccc(-c3nc4cc(C(=O)OC)ccc4n3C3CCCC3)c21.
What is the InChIKey of methyl 1-cyclopentyl-2-[3-(2-methoxyethyl)-2-oxo-1H-benzimidazol-4-yl]benzimidazole-5-carboxylate?
The InChIKey is AKFPKLWNIPVCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-31-13-12-27-21-17(8-5-9-18(21)26-24(27)30)22-25-19-14-15(23(29)32-2)10-11-20(19)28(22)16-6-3-4-7-16/h5,8-11,14,16H,3-4,6-7,12-13H2,1-2H3,(H,26,30).
What are the key properties of methyl 1-cyclopentyl-2-[3-(2-methoxyethyl)-2-oxo-1H-benzimidazol-4-yl]benzimidazole-5-carboxylate?
methyl 1-cyclopentyl-2-[3-(2-methoxyethyl)-2-oxo-1H-benzimidazol-4-yl]benzimidazole-5-carboxylate has a molecular weight of 434.50 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-cyclopentyl-2-[3-(2-methoxyethyl)-2-oxo-1H-benzimidazol-4-yl]benzimidazole-5-carboxylate is sourced from PubChem (CID 58217250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).