1-[1-[(1-benzylimidazol-2-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride

C19H28ClN5 — CID 120968227

IUPAC1-[1-[(1-benzylimidazol-2-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
SMILESCl.c1ccc(Cn2ccnc2CN2CCC(N3CCNCC3)C2)cc1
InChIInChI=1S/C19H27N5.ClH/c1-2-4-17(5-3-1)14-24-13-9-21-19(24)16-22-10-6-18(15-22)23-11-7-20-8-12-23;/h1-5,9,13,18,20H,6-8,10-12,14-16H2;1H
InChIKeyKPWVGZDSZWYMLI-UHFFFAOYSA-N
MW361.92 g/mol
LogP1.83
Rot. Bonds5

About 1-[1-[(1-benzylimidazol-2-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride

1-[1-[(1-benzylimidazol-2-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride (PubChem CID 120968227) has the molecular formula C19H28ClN5 and a molecular weight of 361.92 g/mol. Its IUPAC name is 1-[1-[(1-benzylimidazol-2-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[1-[(1-benzylimidazol-2-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
PubChem CID120968227
Molecular FormulaC19H28ClN5
Molecular Weight361.92 g/mol
Exact Mass361.20
IUPAC Name1-[1-[(1-benzylimidazol-2-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
SMILESCl.c1ccc(Cn2ccnc2CN2CCC(N3CCNCC3)C2)cc1
InChIInChI=1S/C19H27N5.ClH/c1-2-4-17(5-3-1)14-24-13-9-21-19(24)16-22-10-6-18(15-22)23-11-7-20-8-12-23;/h1-5,9,13,18,20H,6-8,10-12,14-16H2;1H
InChIKeyKPWVGZDSZWYMLI-UHFFFAOYSA-N
XLogP1.83
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.92
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(9aR)-2-[(1-benzylimidazol-2-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 124607255
1-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120968218
1-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968330
1-[(1-benzylimidazol-2-yl)methyl]piperidin-4-ol
CID 110887635
1-[1-[(1-benzylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120967671
1-[1-[(2-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120967885
1-benzyl-4-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-4-yl]piperazine
CID 131902682
1-[1-[(1-benzyl-3-tert-butylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120968069
(3R,4S)-1-[(1-benzylimidazol-2-yl)methyl]-3,4-dimethylpiperidin-4-ol
CID 72869391
1-[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120967906
1-[1-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120967485
1-[(1-benzylimidazol-2-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910621

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-benzylimidazol-2-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride?
The IUPAC name of 1-[1-[(1-benzylimidazol-2-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride (CID 120968227) is 1-[1-[(1-benzylimidazol-2-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride.
What is the SMILES notation for 1-[1-[(1-benzylimidazol-2-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride?
The canonical SMILES for 1-[1-[(1-benzylimidazol-2-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride is Cl.c1ccc(Cn2ccnc2CN2CCC(N3CCNCC3)C2)cc1.
What is the InChIKey of 1-[1-[(1-benzylimidazol-2-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride?
The InChIKey is KPWVGZDSZWYMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5.ClH/c1-2-4-17(5-3-1)14-24-13-9-21-19(24)16-22-10-6-18(15-22)23-11-7-20-8-12-23;/h1-5,9,13,18,20H,6-8,10-12,14-16H2;1H.
What are the key properties of 1-[1-[(1-benzylimidazol-2-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride?
1-[1-[(1-benzylimidazol-2-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride has a molecular weight of 361.92 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-benzylimidazol-2-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride is sourced from PubChem (CID 120968227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).