benzyl 2-[6-(furan-2-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate

C23H21N3O3 — CID 25264690

IUPACbenzyl 2-[6-(furan-2-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCCC1c1nc2ccc(-c3ccco3)cc2[nH]1
InChIInChI=1S/C23H21N3O3/c27-23(29-15-16-6-2-1-3-7-16)26-12-4-8-20(26)22-24-18-11-10-17(14-19(18)25-22)21-9-5-13-28-21/h1-3,5-7,9-11,13-14,20H,4,8,12,15H2,(H,24,25)
InChIKeyWUPMSSPXNDAURI-UHFFFAOYSA-N
MW387.44 g/mol
LogP5.30
Rot. Bonds4

About benzyl 2-[6-(furan-2-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate

benzyl 2-[6-(furan-2-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate (PubChem CID 25264690) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is benzyl 2-[6-(furan-2-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-[6-(furan-2-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate
PubChem CID25264690
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Namebenzyl 2-[6-(furan-2-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCCC1c1nc2ccc(-c3ccco3)cc2[nH]1
InChIInChI=1S/C23H21N3O3/c27-23(29-15-16-6-2-1-3-7-16)26-12-4-8-20(26)22-24-18-11-10-17(14-19(18)25-22)21-9-5-13-28-21/h1-3,5-7,9-11,13-14,20H,4,8,12,15H2,(H,24,25)
InChIKeyWUPMSSPXNDAURI-UHFFFAOYSA-N
XLogP5.30
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.44
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-[6-(furan-2-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate?
The IUPAC name of benzyl 2-[6-(furan-2-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate (CID 25264690) is benzyl 2-[6-(furan-2-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 2-[6-(furan-2-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 2-[6-(furan-2-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate is O=C(OCc1ccccc1)N1CCCC1c1nc2ccc(-c3ccco3)cc2[nH]1.
What is the InChIKey of benzyl 2-[6-(furan-2-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate?
The InChIKey is WUPMSSPXNDAURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c27-23(29-15-16-6-2-1-3-7-16)26-12-4-8-20(26)22-24-18-11-10-17(14-19(18)25-22)21-9-5-13-28-21/h1-3,5-7,9-11,13-14,20H,4,8,12,15H2,(H,24,25).
What are the key properties of benzyl 2-[6-(furan-2-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate?
benzyl 2-[6-(furan-2-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate has a molecular weight of 387.44 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[6-(furan-2-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 25264690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).