benzyl (2R)-2-[6-(9H-carbazol-3-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate

C31H26N4O2 — CID 25262655

IUPACbenzyl (2R)-2-[6-(9H-carbazol-3-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC[C@@H]1c1nc2ccc(-c3ccc4[nH]c5ccccc5c4c3)cc2[nH]1
InChIInChI=1S/C31H26N4O2/c36-31(37-19-20-7-2-1-3-8-20)35-16-6-11-29(35)30-33-27-15-13-22(18-28(27)34-30)21-12-14-26-24(17-21)23-9-4-5-10-25(23)32-26/h1-5,7-10,12-15,17-18,29,32H,6,11,16,19H2,(H,33,34)/t29-/m1/s1
InChIKeyZIFNVXQKOQBCLW-GDLZYMKVSA-N
MW486.58 g/mol
LogP7.34
Rot. Bonds4

About benzyl (2R)-2-[6-(9H-carbazol-3-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate

benzyl (2R)-2-[6-(9H-carbazol-3-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate (PubChem CID 25262655) has the molecular formula C31H26N4O2 and a molecular weight of 486.58 g/mol. Its IUPAC name is benzyl (2R)-2-[6-(9H-carbazol-3-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R)-2-[6-(9H-carbazol-3-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate
PubChem CID25262655
Molecular FormulaC31H26N4O2
Molecular Weight486.58 g/mol
Exact Mass486.21
IUPAC Namebenzyl (2R)-2-[6-(9H-carbazol-3-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC[C@@H]1c1nc2ccc(-c3ccc4[nH]c5ccccc5c4c3)cc2[nH]1
InChIInChI=1S/C31H26N4O2/c36-31(37-19-20-7-2-1-3-8-20)35-16-6-11-29(35)30-33-27-15-13-22(18-28(27)34-30)21-12-14-26-24(17-21)23-9-4-5-10-25(23)32-26/h1-5,7-10,12-15,17-18,29,32H,6,11,16,19H2,(H,33,34)/t29-/m1/s1
InChIKeyZIFNVXQKOQBCLW-GDLZYMKVSA-N
XLogP7.34
TPSA74.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.58
LogP ≤ 57.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl (2S)-2-[6-[5-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]naphthalen-1-yl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate
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CID 173062561
tert-butyl 2-[6-[6-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate
CID 66982100

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-[6-(9H-carbazol-3-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2R)-2-[6-(9H-carbazol-3-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate (CID 25262655) is benzyl (2R)-2-[6-(9H-carbazol-3-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2R)-2-[6-(9H-carbazol-3-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2R)-2-[6-(9H-carbazol-3-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC[C@@H]1c1nc2ccc(-c3ccc4[nH]c5ccccc5c4c3)cc2[nH]1.
What is the InChIKey of benzyl (2R)-2-[6-(9H-carbazol-3-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate?
The InChIKey is ZIFNVXQKOQBCLW-GDLZYMKVSA-N. The full InChI is InChI=1S/C31H26N4O2/c36-31(37-19-20-7-2-1-3-8-20)35-16-6-11-29(35)30-33-27-15-13-22(18-28(27)34-30)21-12-14-26-24(17-21)23-9-4-5-10-25(23)32-26/h1-5,7-10,12-15,17-18,29,32H,6,11,16,19H2,(H,33,34)/t29-/m1/s1.
What are the key properties of benzyl (2R)-2-[6-(9H-carbazol-3-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate?
benzyl (2R)-2-[6-(9H-carbazol-3-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate has a molecular weight of 486.58 g/mol, XLogP of 7.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-[6-(9H-carbazol-3-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 25262655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).