[1-[2-(1-ethylindol-2-yl)-7-hydroxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate

C25H27N5O4 — CID 175351494

IUPAC[1-[2-(1-ethylindol-2-yl)-7-hydroxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate
SMILESCCn1c(-c2nc3cc(C(=O)N4CCCC(OC(N)=O)C4)cc(O)c3n2C)cc2ccccc21
InChIInChI=1S/C25H27N5O4/c1-3-30-19-9-5-4-7-15(19)12-20(30)23-27-18-11-16(13-21(31)22(18)28(23)2)24(32)29-10-6-8-17(14-29)34-25(26)33/h4-5,7,9,11-13,17,31H,3,6,8,10,14H2,1-2H3,(H2,26,33)
InChIKeyAFYFEFRDYYTPQH-UHFFFAOYSA-N
MW461.52 g/mol
LogP3.62
Rot. Bonds4

About [1-[2-(1-ethylindol-2-yl)-7-hydroxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate

[1-[2-(1-ethylindol-2-yl)-7-hydroxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate (PubChem CID 175351494) has the molecular formula C25H27N5O4 and a molecular weight of 461.52 g/mol. Its IUPAC name is [1-[2-(1-ethylindol-2-yl)-7-hydroxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate.

Molecular Properties

Compound Name[1-[2-(1-ethylindol-2-yl)-7-hydroxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate
PubChem CID175351494
Molecular FormulaC25H27N5O4
Molecular Weight461.52 g/mol
Exact Mass461.21
IUPAC Name[1-[2-(1-ethylindol-2-yl)-7-hydroxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate
SMILESCCn1c(-c2nc3cc(C(=O)N4CCCC(OC(N)=O)C4)cc(O)c3n2C)cc2ccccc21
InChIInChI=1S/C25H27N5O4/c1-3-30-19-9-5-4-7-15(19)12-20(30)23-27-18-11-16(13-21(31)22(18)28(23)2)24(32)29-10-6-8-17(14-29)34-25(26)33/h4-5,7,9,11-13,17,31H,3,6,8,10,14H2,1-2H3,(H2,26,33)
InChIKeyAFYFEFRDYYTPQH-UHFFFAOYSA-N
XLogP3.62
TPSA115.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(1-ethylindol-2-yl)-7-hydroxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate?
The IUPAC name of [1-[2-(1-ethylindol-2-yl)-7-hydroxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate (CID 175351494) is [1-[2-(1-ethylindol-2-yl)-7-hydroxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate.
What is the SMILES notation for [1-[2-(1-ethylindol-2-yl)-7-hydroxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate?
The canonical SMILES for [1-[2-(1-ethylindol-2-yl)-7-hydroxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate is CCn1c(-c2nc3cc(C(=O)N4CCCC(OC(N)=O)C4)cc(O)c3n2C)cc2ccccc21.
What is the InChIKey of [1-[2-(1-ethylindol-2-yl)-7-hydroxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate?
The InChIKey is AFYFEFRDYYTPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O4/c1-3-30-19-9-5-4-7-15(19)12-20(30)23-27-18-11-16(13-21(31)22(18)28(23)2)24(32)29-10-6-8-17(14-29)34-25(26)33/h4-5,7,9,11-13,17,31H,3,6,8,10,14H2,1-2H3,(H2,26,33).
What are the key properties of [1-[2-(1-ethylindol-2-yl)-7-hydroxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate?
[1-[2-(1-ethylindol-2-yl)-7-hydroxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate has a molecular weight of 461.52 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(1-ethylindol-2-yl)-7-hydroxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate is sourced from PubChem (CID 175351494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).