ethyl 3-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propanoate

C24H26ClN3O3 — CID 156810821

IUPACethyl 3-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propanoate
SMILESCCOC(=O)CCc1nc2cc(C(=O)N3CCCCC3)ccc2n1-c1cccc(Cl)c1
InChIInChI=1S/C24H26ClN3O3/c1-2-31-23(29)12-11-22-26-20-15-17(24(30)27-13-4-3-5-14-27)9-10-21(20)28(22)19-8-6-7-18(25)16-19/h6-10,15-16H,2-5,11-14H2,1H3
InChIKeyILORJZFDAKYOQT-UHFFFAOYSA-N
MW439.94 g/mol
LogP4.80
Rot. Bonds6

About ethyl 3-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propanoate

ethyl 3-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propanoate (PubChem CID 156810821) has the molecular formula C24H26ClN3O3 and a molecular weight of 439.94 g/mol. Its IUPAC name is ethyl 3-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propanoate
PubChem CID156810821
Molecular FormulaC24H26ClN3O3
Molecular Weight439.94 g/mol
Exact Mass439.17
IUPAC Nameethyl 3-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propanoate
SMILESCCOC(=O)CCc1nc2cc(C(=O)N3CCCCC3)ccc2n1-c1cccc(Cl)c1
InChIInChI=1S/C24H26ClN3O3/c1-2-31-23(29)12-11-22-26-20-15-17(24(30)27-13-4-3-5-14-27)9-10-21(20)28(22)19-8-6-7-18(25)16-19/h6-10,15-16H,2-5,11-14H2,1H3
InChIKeyILORJZFDAKYOQT-UHFFFAOYSA-N
XLogP4.80
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.94
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propanoate?
The IUPAC name of ethyl 3-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propanoate (CID 156810821) is ethyl 3-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propanoate.
What is the SMILES notation for ethyl 3-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propanoate?
The canonical SMILES for ethyl 3-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propanoate is CCOC(=O)CCc1nc2cc(C(=O)N3CCCCC3)ccc2n1-c1cccc(Cl)c1.
What is the InChIKey of ethyl 3-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propanoate?
The InChIKey is ILORJZFDAKYOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O3/c1-2-31-23(29)12-11-22-26-20-15-17(24(30)27-13-4-3-5-14-27)9-10-21(20)28(22)19-8-6-7-18(25)16-19/h6-10,15-16H,2-5,11-14H2,1H3.
What are the key properties of ethyl 3-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propanoate?
ethyl 3-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propanoate has a molecular weight of 439.94 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propanoate is sourced from PubChem (CID 156810821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).