1-[1-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride

C19H28ClN5 — CID 120967485

IUPAC1-[1-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
SMILESCc1ncc(CN2CCC(N3CCNCC3)C2)n1-c1ccccc1.Cl
InChIInChI=1S/C19H27N5.ClH/c1-16-21-13-19(24(16)17-5-3-2-4-6-17)15-22-10-7-18(14-22)23-11-8-20-9-12-23;/h2-6,13,18,20H,7-12,14-15H2,1H3;1H
InChIKeyXMCVGKPKCQPJAO-UHFFFAOYSA-N
MW361.92 g/mol
LogP2.08
Rot. Bonds4

About 1-[1-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride

1-[1-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride (PubChem CID 120967485) has the molecular formula C19H28ClN5 and a molecular weight of 361.92 g/mol. Its IUPAC name is 1-[1-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[1-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
PubChem CID120967485
Molecular FormulaC19H28ClN5
Molecular Weight361.92 g/mol
Exact Mass361.20
IUPAC Name1-[1-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
SMILESCc1ncc(CN2CCC(N3CCNCC3)C2)n1-c1ccccc1.Cl
InChIInChI=1S/C19H27N5.ClH/c1-16-21-13-19(24(16)17-5-3-2-4-6-17)15-22-10-7-18(14-22)23-11-8-20-9-12-23;/h2-6,13,18,20H,7-12,14-15H2,1H3;1H
InChIKeyXMCVGKPKCQPJAO-UHFFFAOYSA-N
XLogP2.08
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.92
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120967486
1-[1-[(2-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120967885
1-[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120967906
1-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120968586
(2S)-4-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-[(2S)-oxolan-2-yl]morpholine
CID 97147443
(3R)-1-[(2-methyl-3-phenylimidazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)piperidine
CID 97158539
2-methyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120967694
2-methyl-5-[(3-methylsulfonylazetidin-1-yl)methyl]-1-phenylimidazole
CID 126816677
1-[1-[(1-benzylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120967671
1-[1-[(1-benzylimidazol-2-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968227
6-bromo-8-methyl-3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 120968560
1-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968330

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride?
The IUPAC name of 1-[1-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride (CID 120967485) is 1-[1-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride.
What is the SMILES notation for 1-[1-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride?
The canonical SMILES for 1-[1-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride is Cc1ncc(CN2CCC(N3CCNCC3)C2)n1-c1ccccc1.Cl.
What is the InChIKey of 1-[1-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride?
The InChIKey is XMCVGKPKCQPJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5.ClH/c1-16-21-13-19(24(16)17-5-3-2-4-6-17)15-22-10-7-18(14-22)23-11-8-20-9-12-23;/h2-6,13,18,20H,7-12,14-15H2,1H3;1H.
What are the key properties of 1-[1-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride?
1-[1-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride has a molecular weight of 361.92 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride is sourced from PubChem (CID 120967485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).