1-(2-methoxyethyl)-2-oxo-N-(2-pyrrolidin-1-ylphenyl)-3H-benzimidazole-5-carboxamide

C21H24N4O3 — CID 6489638

IUPAC1-(2-methoxyethyl)-2-oxo-N-(2-pyrrolidin-1-ylphenyl)-3H-benzimidazole-5-carboxamide
SMILESCOCCn1c(=O)[nH]c2cc(C(=O)Nc3ccccc3N3CCCC3)ccc21
InChIInChI=1S/C21H24N4O3/c1-28-13-12-25-19-9-8-15(14-17(19)23-21(25)27)20(26)22-16-6-2-3-7-18(16)24-10-4-5-11-24/h2-3,6-9,14H,4-5,10-13H2,1H3,(H,22,26)(H,23,27)
InChIKeyHXFXTUWNNYUWIX-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.83
Rot. Bonds6

About 1-(2-methoxyethyl)-2-oxo-N-(2-pyrrolidin-1-ylphenyl)-3H-benzimidazole-5-carboxamide

1-(2-methoxyethyl)-2-oxo-N-(2-pyrrolidin-1-ylphenyl)-3H-benzimidazole-5-carboxamide (PubChem CID 6489638) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-oxo-N-(2-pyrrolidin-1-ylphenyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-oxo-N-(2-pyrrolidin-1-ylphenyl)-3H-benzimidazole-5-carboxamide
PubChem CID6489638
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name1-(2-methoxyethyl)-2-oxo-N-(2-pyrrolidin-1-ylphenyl)-3H-benzimidazole-5-carboxamide
SMILESCOCCn1c(=O)[nH]c2cc(C(=O)Nc3ccccc3N3CCCC3)ccc21
InChIInChI=1S/C21H24N4O3/c1-28-13-12-25-19-9-8-15(14-17(19)23-21(25)27)20(26)22-16-6-2-3-7-18(16)24-10-4-5-11-24/h2-3,6-9,14H,4-5,10-13H2,1H3,(H,22,26)(H,23,27)
InChIKeyHXFXTUWNNYUWIX-UHFFFAOYSA-N
XLogP2.83
TPSA79.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-oxo-N-(2-pyrrolidin-1-ylphenyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-2-oxo-N-(2-pyrrolidin-1-ylphenyl)-3H-benzimidazole-5-carboxamide (CID 6489638) is 1-(2-methoxyethyl)-2-oxo-N-(2-pyrrolidin-1-ylphenyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-2-oxo-N-(2-pyrrolidin-1-ylphenyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-2-oxo-N-(2-pyrrolidin-1-ylphenyl)-3H-benzimidazole-5-carboxamide is COCCn1c(=O)[nH]c2cc(C(=O)Nc3ccccc3N3CCCC3)ccc21.
What is the InChIKey of 1-(2-methoxyethyl)-2-oxo-N-(2-pyrrolidin-1-ylphenyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is HXFXTUWNNYUWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-28-13-12-25-19-9-8-15(14-17(19)23-21(25)27)20(26)22-16-6-2-3-7-18(16)24-10-4-5-11-24/h2-3,6-9,14H,4-5,10-13H2,1H3,(H,22,26)(H,23,27).
What are the key properties of 1-(2-methoxyethyl)-2-oxo-N-(2-pyrrolidin-1-ylphenyl)-3H-benzimidazole-5-carboxamide?
1-(2-methoxyethyl)-2-oxo-N-(2-pyrrolidin-1-ylphenyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-oxo-N-(2-pyrrolidin-1-ylphenyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 6489638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).