ethyl 1-[2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]acetyl]piperidine-4-carboxylate

C24H24Cl2FN3O3 — CID 83282441

IUPACethyl 1-[2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Cn2c(Cc3ccccc3F)nc3cc(Cl)c(Cl)cc32)CC1
InChIInChI=1S/C24H24Cl2FN3O3/c1-2-33-24(32)15-7-9-29(10-8-15)23(31)14-30-21-13-18(26)17(25)12-20(21)28-22(30)11-16-5-3-4-6-19(16)27/h3-6,12-13,15H,2,7-11,14H2,1H3
InChIKeyFQBNFIRWAGOKNX-UHFFFAOYSA-N
MW492.38 g/mol
LogP4.87
Rot. Bonds6

About ethyl 1-[2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]acetyl]piperidine-4-carboxylate

ethyl 1-[2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]acetyl]piperidine-4-carboxylate (PubChem CID 83282441) has the molecular formula C24H24Cl2FN3O3 and a molecular weight of 492.38 g/mol. Its IUPAC name is ethyl 1-[2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]acetyl]piperidine-4-carboxylate
PubChem CID83282441
Molecular FormulaC24H24Cl2FN3O3
Molecular Weight492.38 g/mol
Exact Mass491.12
IUPAC Nameethyl 1-[2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Cn2c(Cc3ccccc3F)nc3cc(Cl)c(Cl)cc32)CC1
InChIInChI=1S/C24H24Cl2FN3O3/c1-2-33-24(32)15-7-9-29(10-8-15)23(31)14-30-21-13-18(26)17(25)12-20(21)28-22(30)11-16-5-3-4-6-19(16)27/h3-6,12-13,15H,2,7-11,14H2,1H3
InChIKeyFQBNFIRWAGOKNX-UHFFFAOYSA-N
XLogP4.87
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.38
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 1-[2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]acetyl]piperidine-4-carboxylate with MolForge

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Related Compounds

Ethyl 1-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]piperidine-4-carboxylate
CID 2998766
N-[(1S)-1-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-3-[4-(3-fluorophenyl)piperidin-1-yl]propanamide
CID 57390952
Ethyl 2-[2-(2-benzyl-5,6-dichlorobenzimidazol-1-yl)pentanoylamino]acetate
CID 77014348
methyl 2-[2-[1-[[1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidin-4-yl]methyl]piperidin-4-yl]benzimidazol-1-yl]acetate
CID 44534527
N-[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-2-morpholin-4-ylacetamide
CID 46886204
Ethyl 4-[[5-chloro-1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate
CID 12891489
Ethyl 3-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propanoate
CID 156810821
methyl ((1-(2-chloro-6-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)methyl)(methyl)carbamate
CID 16956053
4-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-(3-fluorobenzyl)-N-methylbutanamide
CID 49864603
ethyl ((1-(2-chloro-6-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)methyl)(methyl)carbamate
CID 18590008
ethyl {2-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1H-benzimidazol-1-yl}acetate
CID 16450937
1-[4-(1-Benzyl-5-chlorobenzimidazol-2-yl)piperazin-1-yl]ethanone
CID 172451803

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]acetyl]piperidine-4-carboxylate (CID 83282441) is ethyl 1-[2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)Cn2c(Cc3ccccc3F)nc3cc(Cl)c(Cl)cc32)CC1.
What is the InChIKey of ethyl 1-[2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]acetyl]piperidine-4-carboxylate?
The InChIKey is FQBNFIRWAGOKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2FN3O3/c1-2-33-24(32)15-7-9-29(10-8-15)23(31)14-30-21-13-18(26)17(25)12-20(21)28-22(30)11-16-5-3-4-6-19(16)27/h3-6,12-13,15H,2,7-11,14H2,1H3.
What are the key properties of ethyl 1-[2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]acetyl]piperidine-4-carboxylate?
ethyl 1-[2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]acetyl]piperidine-4-carboxylate has a molecular weight of 492.38 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 83282441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).