3-[3-(2-ethylbenzimidazol-1-yl)piperidine-1-carbonyl]-N-propylbenzamide

C25H30N4O2 — CID 139007519

IUPAC3-[3-(2-ethylbenzimidazol-1-yl)piperidine-1-carbonyl]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(C(=O)N2CCCC(n3c(CC)nc4ccccc43)C2)c1
InChIInChI=1S/C25H30N4O2/c1-3-14-26-24(30)18-9-7-10-19(16-18)25(31)28-15-8-11-20(17-28)29-22-13-6-5-12-21(22)27-23(29)4-2/h5-7,9-10,12-13,16,20H,3-4,8,11,14-15,17H2,1-2H3,(H,26,30)
InChIKeyYGCNNGDPQCEXHK-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.22
Rot. Bonds6

About 3-[3-(2-ethylbenzimidazol-1-yl)piperidine-1-carbonyl]-N-propylbenzamide

3-[3-(2-ethylbenzimidazol-1-yl)piperidine-1-carbonyl]-N-propylbenzamide (PubChem CID 139007519) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 3-[3-(2-ethylbenzimidazol-1-yl)piperidine-1-carbonyl]-N-propylbenzamide.

Molecular Properties

Compound Name3-[3-(2-ethylbenzimidazol-1-yl)piperidine-1-carbonyl]-N-propylbenzamide
PubChem CID139007519
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name3-[3-(2-ethylbenzimidazol-1-yl)piperidine-1-carbonyl]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(C(=O)N2CCCC(n3c(CC)nc4ccccc43)C2)c1
InChIInChI=1S/C25H30N4O2/c1-3-14-26-24(30)18-9-7-10-19(16-18)25(31)28-15-8-11-20(17-28)29-22-13-6-5-12-21(22)27-23(29)4-2/h5-7,9-10,12-13,16,20H,3-4,8,11,14-15,17H2,1-2H3,(H,26,30)
InChIKeyYGCNNGDPQCEXHK-UHFFFAOYSA-N
XLogP4.22
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-ethylbenzimidazol-1-yl)piperidine-1-carbonyl]-N-propylbenzamide?
The IUPAC name of 3-[3-(2-ethylbenzimidazol-1-yl)piperidine-1-carbonyl]-N-propylbenzamide (CID 139007519) is 3-[3-(2-ethylbenzimidazol-1-yl)piperidine-1-carbonyl]-N-propylbenzamide.
What is the SMILES notation for 3-[3-(2-ethylbenzimidazol-1-yl)piperidine-1-carbonyl]-N-propylbenzamide?
The canonical SMILES for 3-[3-(2-ethylbenzimidazol-1-yl)piperidine-1-carbonyl]-N-propylbenzamide is CCCNC(=O)c1cccc(C(=O)N2CCCC(n3c(CC)nc4ccccc43)C2)c1.
What is the InChIKey of 3-[3-(2-ethylbenzimidazol-1-yl)piperidine-1-carbonyl]-N-propylbenzamide?
The InChIKey is YGCNNGDPQCEXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-3-14-26-24(30)18-9-7-10-19(16-18)25(31)28-15-8-11-20(17-28)29-22-13-6-5-12-21(22)27-23(29)4-2/h5-7,9-10,12-13,16,20H,3-4,8,11,14-15,17H2,1-2H3,(H,26,30).
What are the key properties of 3-[3-(2-ethylbenzimidazol-1-yl)piperidine-1-carbonyl]-N-propylbenzamide?
3-[3-(2-ethylbenzimidazol-1-yl)piperidine-1-carbonyl]-N-propylbenzamide has a molecular weight of 418.54 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-ethylbenzimidazol-1-yl)piperidine-1-carbonyl]-N-propylbenzamide is sourced from PubChem (CID 139007519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).