1-methyl-2-[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]piperazine

C12H17N5 — CID 116881089

IUPAC1-methyl-2-[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]piperazine
SMILESCN1CCNCC1c1ncc(-c2cc[nH]c2)[nH]1
InChIInChI=1S/C12H17N5/c1-17-5-4-14-8-11(17)12-15-7-10(16-12)9-2-3-13-6-9/h2-3,6-7,11,13-14H,4-5,8H2,1H3,(H,15,16)
InChIKeyOLYHKGGIDCLIPK-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.98
Rot. Bonds2

About 1-methyl-2-[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]piperazine

1-methyl-2-[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]piperazine (PubChem CID 116881089) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-methyl-2-[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]piperazine.

Molecular Properties

Compound Name1-methyl-2-[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]piperazine
PubChem CID116881089
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name1-methyl-2-[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]piperazine
SMILESCN1CCNCC1c1ncc(-c2cc[nH]c2)[nH]1
InChIInChI=1S/C12H17N5/c1-17-5-4-14-8-11(17)12-15-7-10(16-12)9-2-3-13-6-9/h2-3,6-7,11,13-14H,4-5,8H2,1H3,(H,15,16)
InChIKeyOLYHKGGIDCLIPK-UHFFFAOYSA-N
XLogP0.98
TPSA59.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-[[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]methyl]piperazine
CID 116881246
1-methyl-2-[5-(2-methylphenyl)-1H-imidazol-2-yl]piperazine
CID 116881093
1-methyl-2-(5-methyl-1H-imidazol-2-yl)piperazine
CID 116881081
(2S)-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 96902399
5-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrimidine
CID 143630216
5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-2-(1-methylpyrrolidin-2-yl)-1H-imidazole
CID 129019197
(2S)-2-(2-fluorophenyl)-1-methylpiperazine
CID 28804930
N,N-dimethyl-5-(1-methylpiperazin-2-yl)pyridin-2-amine
CID 131540861
1-methyl-2-(4-propan-2-ylphenyl)piperazine
CID 82021257
1-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone
CID 162721818
methyl N-[(2S)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]piperazin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 67522793
3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-methylmorpholine
CID 78151272

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]piperazine?
The IUPAC name of 1-methyl-2-[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]piperazine (CID 116881089) is 1-methyl-2-[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]piperazine.
What is the SMILES notation for 1-methyl-2-[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]piperazine?
The canonical SMILES for 1-methyl-2-[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]piperazine is CN1CCNCC1c1ncc(-c2cc[nH]c2)[nH]1.
What is the InChIKey of 1-methyl-2-[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]piperazine?
The InChIKey is OLYHKGGIDCLIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-17-5-4-14-8-11(17)12-15-7-10(16-12)9-2-3-13-6-9/h2-3,6-7,11,13-14H,4-5,8H2,1H3,(H,15,16).
What are the key properties of 1-methyl-2-[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]piperazine?
1-methyl-2-[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]piperazine has a molecular weight of 231.30 g/mol, XLogP of 0.98, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]piperazine is sourced from PubChem (CID 116881089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).