1-cyclopentyl-4-[[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]piperidine

C20H31N5 — CID 56878441

IUPAC1-cyclopentyl-4-[[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]piperidine
SMILESCCc1nc(-c2nccn2CC2CCN(C3CCCC3)CC2)c(C)[nH]1
InChIInChI=1S/C20H31N5/c1-3-18-22-15(2)19(23-18)20-21-10-13-25(20)14-16-8-11-24(12-9-16)17-6-4-5-7-17/h10,13,16-17H,3-9,11-12,14H2,1-2H3,(H,22,23)
InChIKeyVWQWMPRGFMDPOL-UHFFFAOYSA-N
MW341.50 g/mol
LogP3.80
Rot. Bonds5

About 1-cyclopentyl-4-[[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]piperidine

1-cyclopentyl-4-[[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]piperidine (PubChem CID 56878441) has the molecular formula C20H31N5 and a molecular weight of 341.50 g/mol. Its IUPAC name is 1-cyclopentyl-4-[[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]piperidine.

Molecular Properties

Compound Name1-cyclopentyl-4-[[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]piperidine
PubChem CID56878441
Molecular FormulaC20H31N5
Molecular Weight341.50 g/mol
Exact Mass341.26
IUPAC Name1-cyclopentyl-4-[[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]piperidine
SMILESCCc1nc(-c2nccn2CC2CCN(C3CCCC3)CC2)c(C)[nH]1
InChIInChI=1S/C20H31N5/c1-3-18-22-15(2)19(23-18)20-21-10-13-25(20)14-16-8-11-24(12-9-16)17-6-4-5-7-17/h10,13,16-17H,3-9,11-12,14H2,1-2H3,(H,22,23)
InChIKeyVWQWMPRGFMDPOL-UHFFFAOYSA-N
XLogP3.80
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,4-N-bis(3,3-difluorocyclopentyl)-6-(2-methyl-1H-imidazol-5-yl)-1,3,5-triazine-2,4-diamine
CID 117817325
MAT-POS-ea426761-49
CID 56864220
1-[3-(2-ethyl-1H-imidazol-1-yl)propyl]-5'-methyl-1H,3'H-2,4'-biimidazole
CID 56706438
N,N-dimethyl-3-(5'-methyl-1H,3'H-2,4'-biimidazol-1-yl)propan-1-amine
CID 56754685
N,N-diethyl-2-(5'-methyl-1H,3'H-2,4'-biimidazol-1-yl)ethanamine
CID 56758299
2'-butyl-1-pyrrolidin-3-yl-1H,1'H-2,4'-biimidazole
CID 70717171
N,N,2,2-tetramethyl-3-[2-(1-piperidin-4-yl-1H-1,2,3-triazol-4-yl)-1H-imidazol-1-yl]propan-1-amine
CID 70757231
5'-methyl-1-{3-[(1-methylpiperidin-4-yl)oxy]propyl}-1H,3'H-2,4'-biimidazole
CID 70777526
N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-[(4-methyl-1H-imidazol-5-yl)methyl]cyclopropanamine
CID 50984119
5'-methyl-1-(2,2,2-trifluoroethyl)-1H,3'H-2,4'-biimidazole
CID 56916971
1-(1H-imidazol-4-ylmethyl)-4-[1-(1-pyrrolidinyl)ethyl]piperidine
CID 70717894
4-{4-ethyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}-1-(1H-imidazol-4-ylmethyl)piperidine
CID 72890372

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]piperidine?
The IUPAC name of 1-cyclopentyl-4-[[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]piperidine (CID 56878441) is 1-cyclopentyl-4-[[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]piperidine.
What is the SMILES notation for 1-cyclopentyl-4-[[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]piperidine?
The canonical SMILES for 1-cyclopentyl-4-[[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]piperidine is CCc1nc(-c2nccn2CC2CCN(C3CCCC3)CC2)c(C)[nH]1.
What is the InChIKey of 1-cyclopentyl-4-[[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]piperidine?
The InChIKey is VWQWMPRGFMDPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5/c1-3-18-22-15(2)19(23-18)20-21-10-13-25(20)14-16-8-11-24(12-9-16)17-6-4-5-7-17/h10,13,16-17H,3-9,11-12,14H2,1-2H3,(H,22,23).
What are the key properties of 1-cyclopentyl-4-[[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]piperidine?
1-cyclopentyl-4-[[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]piperidine has a molecular weight of 341.50 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]piperidine is sourced from PubChem (CID 56878441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).