[3-methyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methanamine

C16H22N4 — CID 120781260

IUPAC[3-methyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methanamine
SMILESCC1(CN)CCN(Cc2cnc(-c3ccccc3)[nH]2)C1
InChIInChI=1S/C16H22N4/c1-16(11-17)7-8-20(12-16)10-14-9-18-15(19-14)13-5-3-2-4-6-13/h2-6,9H,7-8,10-12,17H2,1H3,(H,18,19)
InChIKeyHGVXJPRMKJVNNN-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.25
Rot. Bonds4

About [3-methyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methanamine

[3-methyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methanamine (PubChem CID 120781260) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is [3-methyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methanamine
PubChem CID120781260
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name[3-methyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methanamine
SMILESCC1(CN)CCN(Cc2cnc(-c3ccccc3)[nH]2)C1
InChIInChI=1S/C16H22N4/c1-16(11-17)7-8-20(12-16)10-14-9-18-15(19-14)13-5-3-2-4-6-13/h2-6,9H,7-8,10-12,17H2,1H3,(H,18,19)
InChIKeyHGVXJPRMKJVNNN-UHFFFAOYSA-N
XLogP2.25
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-methyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120781259
[3-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120967303
[3-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120771610
[1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120773894
[1-[(2-methoxy-4-phenylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780442
(3S,4R)-4-phenyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120770504
[1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120772034
[1-[(2,6-dimethylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120773794
2-[2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]ethoxy]ethanol
CID 29022137
1-benzhydryl-4-[[2-(4-methylphenyl)-1H-imidazol-5-yl]methyl]piperazine
CID 19106667
[3-methyl-1-[(5-methylimidazo[1,2-a]pyridin-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120780708
[1-[(2-ethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780821

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [3-methyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methanamine (CID 120781260) is [3-methyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [3-methyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [3-methyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methanamine is CC1(CN)CCN(Cc2cnc(-c3ccccc3)[nH]2)C1.
What is the InChIKey of [3-methyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methanamine?
The InChIKey is HGVXJPRMKJVNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-16(11-17)7-8-20(12-16)10-14-9-18-15(19-14)13-5-3-2-4-6-13/h2-6,9H,7-8,10-12,17H2,1H3,(H,18,19).
What are the key properties of [3-methyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methanamine?
[3-methyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methanamine has a molecular weight of 270.38 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120781260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).