2-[2-(furan-2-carbonylamino)ethyl]-1-(2-morpholin-4-ylethyl)benzimidazole-5-carboxylic acid

C21H24N4O5 — CID 42669779

IUPAC2-[2-(furan-2-carbonylamino)ethyl]-1-(2-morpholin-4-ylethyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(CCNC(=O)c1ccco1)n2CCN1CCOCC1
InChIInChI=1S/C21H24N4O5/c26-20(18-2-1-11-30-18)22-6-5-19-23-16-14-15(21(27)28)3-4-17(16)25(19)8-7-24-9-12-29-13-10-24/h1-4,11,14H,5-10,12-13H2,(H,22,26)(H,27,28)
InChIKeyMEPMPOBAEWKVJJ-UHFFFAOYSA-N
MW412.45 g/mol
LogP1.63
Rot. Bonds8

About 2-[2-(furan-2-carbonylamino)ethyl]-1-(2-morpholin-4-ylethyl)benzimidazole-5-carboxylic acid

2-[2-(furan-2-carbonylamino)ethyl]-1-(2-morpholin-4-ylethyl)benzimidazole-5-carboxylic acid (PubChem CID 42669779) has the molecular formula C21H24N4O5 and a molecular weight of 412.45 g/mol. Its IUPAC name is 2-[2-(furan-2-carbonylamino)ethyl]-1-(2-morpholin-4-ylethyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[2-(furan-2-carbonylamino)ethyl]-1-(2-morpholin-4-ylethyl)benzimidazole-5-carboxylic acid
PubChem CID42669779
Molecular FormulaC21H24N4O5
Molecular Weight412.45 g/mol
Exact Mass412.17
IUPAC Name2-[2-(furan-2-carbonylamino)ethyl]-1-(2-morpholin-4-ylethyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(CCNC(=O)c1ccco1)n2CCN1CCOCC1
InChIInChI=1S/C21H24N4O5/c26-20(18-2-1-11-30-18)22-6-5-19-23-16-14-15(21(27)28)3-4-17(16)25(19)8-7-24-9-12-29-13-10-24/h1-4,11,14H,5-10,12-13H2,(H,22,26)(H,27,28)
InChIKeyMEPMPOBAEWKVJJ-UHFFFAOYSA-N
XLogP1.63
TPSA109.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-carbonylamino)ethyl]-1-(2-morpholin-4-ylethyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 2-[2-(furan-2-carbonylamino)ethyl]-1-(2-morpholin-4-ylethyl)benzimidazole-5-carboxylic acid (CID 42669779) is 2-[2-(furan-2-carbonylamino)ethyl]-1-(2-morpholin-4-ylethyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-[2-(furan-2-carbonylamino)ethyl]-1-(2-morpholin-4-ylethyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-[2-(furan-2-carbonylamino)ethyl]-1-(2-morpholin-4-ylethyl)benzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)nc(CCNC(=O)c1ccco1)n2CCN1CCOCC1.
What is the InChIKey of 2-[2-(furan-2-carbonylamino)ethyl]-1-(2-morpholin-4-ylethyl)benzimidazole-5-carboxylic acid?
The InChIKey is MEPMPOBAEWKVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5/c26-20(18-2-1-11-30-18)22-6-5-19-23-16-14-15(21(27)28)3-4-17(16)25(19)8-7-24-9-12-29-13-10-24/h1-4,11,14H,5-10,12-13H2,(H,22,26)(H,27,28).
What are the key properties of 2-[2-(furan-2-carbonylamino)ethyl]-1-(2-morpholin-4-ylethyl)benzimidazole-5-carboxylic acid?
2-[2-(furan-2-carbonylamino)ethyl]-1-(2-morpholin-4-ylethyl)benzimidazole-5-carboxylic acid has a molecular weight of 412.45 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-carbonylamino)ethyl]-1-(2-morpholin-4-ylethyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 42669779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).