ethyl 1-(5,6-dichloro-1-cyclobutylbenzimidazol-2-yl)piperidine-4-carboxylate

C19H23Cl2N3O2 — CID 67034175

IUPACethyl 1-(5,6-dichloro-1-cyclobutylbenzimidazol-2-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nc3cc(Cl)c(Cl)cc3n2C2CCC2)CC1
InChIInChI=1S/C19H23Cl2N3O2/c1-2-26-18(25)12-6-8-23(9-7-12)19-22-16-10-14(20)15(21)11-17(16)24(19)13-4-3-5-13/h10-13H,2-9H2,1H3
InChIKeyPEAIOFJFGPYUNW-UHFFFAOYSA-N
MW396.32 g/mol
LogP4.85
Rot. Bonds4

About ethyl 1-(5,6-dichloro-1-cyclobutylbenzimidazol-2-yl)piperidine-4-carboxylate

ethyl 1-(5,6-dichloro-1-cyclobutylbenzimidazol-2-yl)piperidine-4-carboxylate (PubChem CID 67034175) has the molecular formula C19H23Cl2N3O2 and a molecular weight of 396.32 g/mol. Its IUPAC name is ethyl 1-(5,6-dichloro-1-cyclobutylbenzimidazol-2-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5,6-dichloro-1-cyclobutylbenzimidazol-2-yl)piperidine-4-carboxylate
PubChem CID67034175
Molecular FormulaC19H23Cl2N3O2
Molecular Weight396.32 g/mol
Exact Mass395.12
IUPAC Nameethyl 1-(5,6-dichloro-1-cyclobutylbenzimidazol-2-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nc3cc(Cl)c(Cl)cc3n2C2CCC2)CC1
InChIInChI=1S/C19H23Cl2N3O2/c1-2-26-18(25)12-6-8-23(9-7-12)19-22-16-10-14(20)15(21)11-17(16)24(19)13-4-3-5-13/h10-13H,2-9H2,1H3
InChIKeyPEAIOFJFGPYUNW-UHFFFAOYSA-N
XLogP4.85
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.32
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxylate
CID 73292195
ethyl 1-(5-chloro-6-methyl-1H-benzimidazol-2-yl)piperidine-4-carboxylate
CID 70654030
ethyl 4-[1-(1-cyclohexylbenzimidazol-2-yl)piperidine-4-carbonyl]piperazine-1-carboxylate
CID 46106564
ethyl 1-(5-chloro-6-methyl-2-pyridinyl)piperidine-4-carboxylate
CID 170716467
ethyl 1-(1-methylimidazol-2-yl)piperidine-4-carboxylate
CID 62131854
ethyl 1-[2-[5,6-dichloro-2-[(3-methylphenyl)methyl]benzimidazol-1-yl]acetyl]piperidine-4-carboxylate
CID 83287080
ethyl 1-[3-[5,6-dichloro-2-[(4-methylphenyl)methyl]benzimidazol-1-yl]propanoyl]piperidine-4-carboxylate
CID 83287598
ethyl 1-cyclobutylpiperidine-4-carboxylate
CID 91436949
ethyl 1-(4-amino-2-pyridinyl)piperidine-4-carboxylate
CID 68568819
ethyl 1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxylate
CID 6620147
ethyl 1-(5-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 46735169
ethyl 1-(3-cyclohexyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylate
CID 3243367

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5,6-dichloro-1-cyclobutylbenzimidazol-2-yl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(5,6-dichloro-1-cyclobutylbenzimidazol-2-yl)piperidine-4-carboxylate (CID 67034175) is ethyl 1-(5,6-dichloro-1-cyclobutylbenzimidazol-2-yl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(5,6-dichloro-1-cyclobutylbenzimidazol-2-yl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(5,6-dichloro-1-cyclobutylbenzimidazol-2-yl)piperidine-4-carboxylate is CCOC(=O)C1CCN(c2nc3cc(Cl)c(Cl)cc3n2C2CCC2)CC1.
What is the InChIKey of ethyl 1-(5,6-dichloro-1-cyclobutylbenzimidazol-2-yl)piperidine-4-carboxylate?
The InChIKey is PEAIOFJFGPYUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2N3O2/c1-2-26-18(25)12-6-8-23(9-7-12)19-22-16-10-14(20)15(21)11-17(16)24(19)13-4-3-5-13/h10-13H,2-9H2,1H3.
What are the key properties of ethyl 1-(5,6-dichloro-1-cyclobutylbenzimidazol-2-yl)piperidine-4-carboxylate?
ethyl 1-(5,6-dichloro-1-cyclobutylbenzimidazol-2-yl)piperidine-4-carboxylate has a molecular weight of 396.32 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5,6-dichloro-1-cyclobutylbenzimidazol-2-yl)piperidine-4-carboxylate is sourced from PubChem (CID 67034175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).