tert-butyl 4-[[1-[2-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate

C25H33N5O3 — CID 22711809

IUPACtert-butyl 4-[[1-[2-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate
SMILESCc1cccc(C(O)Cn2c(NC3CCN(C(=O)OC(C)(C)C)CC3)nc3ccccc32)n1
InChIInChI=1S/C25H33N5O3/c1-17-8-7-10-20(26-17)22(31)16-30-21-11-6-5-9-19(21)28-23(30)27-18-12-14-29(15-13-18)24(32)33-25(2,3)4/h5-11,18,22,31H,12-16H2,1-4H3,(H,27,28)
InChIKeyFCRRSXONVUDSGW-UHFFFAOYSA-N
MW451.57 g/mol
LogP4.28
Rot. Bonds5

About tert-butyl 4-[[1-[2-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate

tert-butyl 4-[[1-[2-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate (PubChem CID 22711809) has the molecular formula C25H33N5O3 and a molecular weight of 451.57 g/mol. Its IUPAC name is tert-butyl 4-[[1-[2-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[1-[2-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate
PubChem CID22711809
Molecular FormulaC25H33N5O3
Molecular Weight451.57 g/mol
Exact Mass451.26
IUPAC Nametert-butyl 4-[[1-[2-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate
SMILESCc1cccc(C(O)Cn2c(NC3CCN(C(=O)OC(C)(C)C)CC3)nc3ccccc32)n1
InChIInChI=1S/C25H33N5O3/c1-17-8-7-10-20(26-17)22(31)16-30-21-11-6-5-9-19(21)28-23(30)27-18-12-14-29(15-13-18)24(32)33-25(2,3)4/h5-11,18,22,31H,12-16H2,1-4H3,(H,27,28)
InChIKeyFCRRSXONVUDSGW-UHFFFAOYSA-N
XLogP4.28
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[[1-[2-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[[1-[(3-butoxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate
CID 70320737
tert-butyl 3-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]amino]pyrrolidine-1-carboxylate
CID 71629675
tert-butyl 3-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate
CID 71634452
tert-butyl (3S)-3-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate
CID 97171751
tert-butyl 4-[(1-propylbenzimidazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 29322747
tert-butyl (3R)-3-[[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate
CID 97171748
tert-butyl (3S)-3-[[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate
CID 97171747
tert-butyl 4-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]piperidine-1-carboxylate
CID 55985659
tert-butyl 4-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 40716679
tert-butyl 4-(2-methylquinolin-5-yl)piperidine-1-carboxylate
CID 59141009
bis(ethyl 4-[[1-[(5-methylfuran-2-yl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate);hydrate
CID 70358450
tert-butyl (3R)-3-[[[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]amino]methyl]piperidine-1-carboxylate
CID 97176607

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[1-[2-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[1-[2-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate (CID 22711809) is tert-butyl 4-[[1-[2-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[1-[2-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[1-[2-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate is Cc1cccc(C(O)Cn2c(NC3CCN(C(=O)OC(C)(C)C)CC3)nc3ccccc32)n1.
What is the InChIKey of tert-butyl 4-[[1-[2-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate?
The InChIKey is FCRRSXONVUDSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O3/c1-17-8-7-10-20(26-17)22(31)16-30-21-11-6-5-9-19(21)28-23(30)27-18-12-14-29(15-13-18)24(32)33-25(2,3)4/h5-11,18,22,31H,12-16H2,1-4H3,(H,27,28).
What are the key properties of tert-butyl 4-[[1-[2-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate?
tert-butyl 4-[[1-[2-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate has a molecular weight of 451.57 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[1-[2-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 22711809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).