3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(2-hydroxyethyl)pyrazine-2-carboxamide

C21H17N5O4 — CID 46207821

IUPAC3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(2-hydroxyethyl)pyrazine-2-carboxamide
SMILESO=C(c1ccc(Oc2nccnc2C(=O)NCCO)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C21H17N5O4/c27-12-11-23-20(29)17-21(24-10-9-22-17)30-14-7-5-13(6-8-14)18(28)19-25-15-3-1-2-4-16(15)26-19/h1-10,27H,11-12H2,(H,23,29)(H,25,26)
InChIKeyONOSLZBGAULGHX-UHFFFAOYSA-N
MW403.40 g/mol
LogP2.10
Rot. Bonds7

About 3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(2-hydroxyethyl)pyrazine-2-carboxamide

3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(2-hydroxyethyl)pyrazine-2-carboxamide (PubChem CID 46207821) has the molecular formula C21H17N5O4 and a molecular weight of 403.40 g/mol. Its IUPAC name is 3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(2-hydroxyethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(2-hydroxyethyl)pyrazine-2-carboxamide
PubChem CID46207821
Molecular FormulaC21H17N5O4
Molecular Weight403.40 g/mol
Exact Mass403.13
IUPAC Name3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(2-hydroxyethyl)pyrazine-2-carboxamide
SMILESO=C(c1ccc(Oc2nccnc2C(=O)NCCO)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C21H17N5O4/c27-12-11-23-20(29)17-21(24-10-9-22-17)30-14-7-5-13(6-8-14)18(28)19-25-15-3-1-2-4-16(15)26-19/h1-10,27H,11-12H2,(H,23,29)(H,25,26)
InChIKeyONOSLZBGAULGHX-UHFFFAOYSA-N
XLogP2.10
TPSA130.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(2-hydroxyethyl)pyrazine-2-carboxamide?
The IUPAC name of 3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(2-hydroxyethyl)pyrazine-2-carboxamide (CID 46207821) is 3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(2-hydroxyethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(2-hydroxyethyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(2-hydroxyethyl)pyrazine-2-carboxamide is O=C(c1ccc(Oc2nccnc2C(=O)NCCO)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of 3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(2-hydroxyethyl)pyrazine-2-carboxamide?
The InChIKey is ONOSLZBGAULGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O4/c27-12-11-23-20(29)17-21(24-10-9-22-17)30-14-7-5-13(6-8-14)18(28)19-25-15-3-1-2-4-16(15)26-19/h1-10,27H,11-12H2,(H,23,29)(H,25,26).
What are the key properties of 3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(2-hydroxyethyl)pyrazine-2-carboxamide?
3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(2-hydroxyethyl)pyrazine-2-carboxamide has a molecular weight of 403.40 g/mol, XLogP of 2.10, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(2-hydroxyethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 46207821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).