4-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-2-ethyl-1-propan-2-ylpiperazine

C19H34N4 — CID 56900208

IUPAC4-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-2-ethyl-1-propan-2-ylpiperazine
SMILESCCC1CN(Cc2cnc(CC3CCCC3)[nH]2)CCN1C(C)C
InChIInChI=1S/C19H34N4/c1-4-18-14-22(9-10-23(18)15(2)3)13-17-12-20-19(21-17)11-16-7-5-6-8-16/h12,15-16,18H,4-11,13-14H2,1-3H3,(H,20,21)
InChIKeyDTQQHURJKOEIHA-UHFFFAOYSA-N
MW318.51 g/mol
LogP3.45
Rot. Bonds6

About 4-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-2-ethyl-1-propan-2-ylpiperazine

4-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-2-ethyl-1-propan-2-ylpiperazine (PubChem CID 56900208) has the molecular formula C19H34N4 and a molecular weight of 318.51 g/mol. Its IUPAC name is 4-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-2-ethyl-1-propan-2-ylpiperazine.

Molecular Properties

Compound Name4-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-2-ethyl-1-propan-2-ylpiperazine
PubChem CID56900208
Molecular FormulaC19H34N4
Molecular Weight318.51 g/mol
Exact Mass318.28
IUPAC Name4-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-2-ethyl-1-propan-2-ylpiperazine
SMILESCCC1CN(Cc2cnc(CC3CCCC3)[nH]2)CCN1C(C)C
InChIInChI=1S/C19H34N4/c1-4-18-14-22(9-10-23(18)15(2)3)13-17-12-20-19(21-17)11-16-7-5-6-8-16/h12,15-16,18H,4-11,13-14H2,1-3H3,(H,20,21)
InChIKeyDTQQHURJKOEIHA-UHFFFAOYSA-N
XLogP3.45
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-2-ethyl-1-propan-2-ylpiperazine?
The IUPAC name of 4-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-2-ethyl-1-propan-2-ylpiperazine (CID 56900208) is 4-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-2-ethyl-1-propan-2-ylpiperazine.
What is the SMILES notation for 4-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-2-ethyl-1-propan-2-ylpiperazine?
The canonical SMILES for 4-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-2-ethyl-1-propan-2-ylpiperazine is CCC1CN(Cc2cnc(CC3CCCC3)[nH]2)CCN1C(C)C.
What is the InChIKey of 4-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-2-ethyl-1-propan-2-ylpiperazine?
The InChIKey is DTQQHURJKOEIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4/c1-4-18-14-22(9-10-23(18)15(2)3)13-17-12-20-19(21-17)11-16-7-5-6-8-16/h12,15-16,18H,4-11,13-14H2,1-3H3,(H,20,21).
What are the key properties of 4-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-2-ethyl-1-propan-2-ylpiperazine?
4-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-2-ethyl-1-propan-2-ylpiperazine has a molecular weight of 318.51 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-2-ethyl-1-propan-2-ylpiperazine is sourced from PubChem (CID 56900208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).