1-[1-(1-butan-2-yl-5,6-dichlorobenzimidazol-2-yl)cyclopentyl]piperidine-4-carboxamide

C22H30Cl2N4O — CID 123522975

IUPAC1-[1-(1-butan-2-yl-5,6-dichlorobenzimidazol-2-yl)cyclopentyl]piperidine-4-carboxamide
SMILESCCC(C)n1c(C2(N3CCC(C(N)=O)CC3)CCCC2)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C22H30Cl2N4O/c1-3-14(2)28-19-13-17(24)16(23)12-18(19)26-21(28)22(8-4-5-9-22)27-10-6-15(7-11-27)20(25)29/h12-15H,3-11H2,1-2H3,(H2,25,29)
InChIKeyIPOJZVNGCHPQIX-UHFFFAOYSA-N
MW437.42 g/mol
LogP5.28
Rot. Bonds5

About 1-[1-(1-butan-2-yl-5,6-dichlorobenzimidazol-2-yl)cyclopentyl]piperidine-4-carboxamide

1-[1-(1-butan-2-yl-5,6-dichlorobenzimidazol-2-yl)cyclopentyl]piperidine-4-carboxamide (PubChem CID 123522975) has the molecular formula C22H30Cl2N4O and a molecular weight of 437.42 g/mol. Its IUPAC name is 1-[1-(1-butan-2-yl-5,6-dichlorobenzimidazol-2-yl)cyclopentyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(1-butan-2-yl-5,6-dichlorobenzimidazol-2-yl)cyclopentyl]piperidine-4-carboxamide
PubChem CID123522975
Molecular FormulaC22H30Cl2N4O
Molecular Weight437.42 g/mol
Exact Mass436.18
IUPAC Name1-[1-(1-butan-2-yl-5,6-dichlorobenzimidazol-2-yl)cyclopentyl]piperidine-4-carboxamide
SMILESCCC(C)n1c(C2(N3CCC(C(N)=O)CC3)CCCC2)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C22H30Cl2N4O/c1-3-14(2)28-19-13-17(24)16(23)12-18(19)26-21(28)22(8-4-5-9-22)27-10-6-15(7-11-27)20(25)29/h12-15H,3-11H2,1-2H3,(H2,25,29)
InChIKeyIPOJZVNGCHPQIX-UHFFFAOYSA-N
XLogP5.28
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.42
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-butan-2-yl-5,6-dichlorobenzimidazol-2-yl)cyclopentyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(1-butan-2-yl-5,6-dichlorobenzimidazol-2-yl)cyclopentyl]piperidine-4-carboxamide (CID 123522975) is 1-[1-(1-butan-2-yl-5,6-dichlorobenzimidazol-2-yl)cyclopentyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(1-butan-2-yl-5,6-dichlorobenzimidazol-2-yl)cyclopentyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(1-butan-2-yl-5,6-dichlorobenzimidazol-2-yl)cyclopentyl]piperidine-4-carboxamide is CCC(C)n1c(C2(N3CCC(C(N)=O)CC3)CCCC2)nc2cc(Cl)c(Cl)cc21.
What is the InChIKey of 1-[1-(1-butan-2-yl-5,6-dichlorobenzimidazol-2-yl)cyclopentyl]piperidine-4-carboxamide?
The InChIKey is IPOJZVNGCHPQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30Cl2N4O/c1-3-14(2)28-19-13-17(24)16(23)12-18(19)26-21(28)22(8-4-5-9-22)27-10-6-15(7-11-27)20(25)29/h12-15H,3-11H2,1-2H3,(H2,25,29).
What are the key properties of 1-[1-(1-butan-2-yl-5,6-dichlorobenzimidazol-2-yl)cyclopentyl]piperidine-4-carboxamide?
1-[1-(1-butan-2-yl-5,6-dichlorobenzimidazol-2-yl)cyclopentyl]piperidine-4-carboxamide has a molecular weight of 437.42 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-butan-2-yl-5,6-dichlorobenzimidazol-2-yl)cyclopentyl]piperidine-4-carboxamide is sourced from PubChem (CID 123522975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).