2-(3,5-dimethyl-2-phenylimidazol-4-yl)-2-pyrrolidin-1-ylethanamine

C17H24N4 — CID 84743590

IUPAC2-(3,5-dimethyl-2-phenylimidazol-4-yl)-2-pyrrolidin-1-ylethanamine
SMILESCc1nc(-c2ccccc2)n(C)c1C(CN)N1CCCC1
InChIInChI=1S/C17H24N4/c1-13-16(15(12-18)21-10-6-7-11-21)20(2)17(19-13)14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-12,18H2,1-2H3
InChIKeyVSUYPOCKIVBHCK-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.49
Rot. Bonds4

About 2-(3,5-dimethyl-2-phenylimidazol-4-yl)-2-pyrrolidin-1-ylethanamine

2-(3,5-dimethyl-2-phenylimidazol-4-yl)-2-pyrrolidin-1-ylethanamine (PubChem CID 84743590) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-(3,5-dimethyl-2-phenylimidazol-4-yl)-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Name2-(3,5-dimethyl-2-phenylimidazol-4-yl)-2-pyrrolidin-1-ylethanamine
PubChem CID84743590
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-(3,5-dimethyl-2-phenylimidazol-4-yl)-2-pyrrolidin-1-ylethanamine
SMILESCc1nc(-c2ccccc2)n(C)c1C(CN)N1CCCC1
InChIInChI=1S/C17H24N4/c1-13-16(15(12-18)21-10-6-7-11-21)20(2)17(19-13)14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-12,18H2,1-2H3
InChIKeyVSUYPOCKIVBHCK-UHFFFAOYSA-N
XLogP2.49
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,5-dimethyl-2-phenylimidazol-4-yl)-2-pyrrolidin-1-ylethanamine
CID 84743596
2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 84745570
2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 84745436
2-(4-tert-butylpiperazin-1-yl)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)-N-methylethanamine
CID 84745616
2-(4-cyclopentylpiperazin-1-yl)-2-(1,5-dimethyl-2-phenylimidazol-4-yl)ethanamine
CID 84745611
2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)ethanamine
CID 84745726
2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ylethanamine
CID 56724856
2-(4-cyclopentylpiperazin-1-yl)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)acetic acid
CID 84745686
2-(diethylamino)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)acetonitrile
CID 84743522
2-(1,5-dimethyl-2-phenylimidazol-4-yl)-2-pyrrolidin-1-ylacetic acid
CID 84744024
2-pyrrolidin-1-yl-2-thiophen-2-ylethanamine
CID 3733262
(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethanamine
CID 9079311

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-2-phenylimidazol-4-yl)-2-pyrrolidin-1-ylethanamine?
The IUPAC name of 2-(3,5-dimethyl-2-phenylimidazol-4-yl)-2-pyrrolidin-1-ylethanamine (CID 84743590) is 2-(3,5-dimethyl-2-phenylimidazol-4-yl)-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for 2-(3,5-dimethyl-2-phenylimidazol-4-yl)-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for 2-(3,5-dimethyl-2-phenylimidazol-4-yl)-2-pyrrolidin-1-ylethanamine is Cc1nc(-c2ccccc2)n(C)c1C(CN)N1CCCC1.
What is the InChIKey of 2-(3,5-dimethyl-2-phenylimidazol-4-yl)-2-pyrrolidin-1-ylethanamine?
The InChIKey is VSUYPOCKIVBHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-13-16(15(12-18)21-10-6-7-11-21)20(2)17(19-13)14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-12,18H2,1-2H3.
What are the key properties of 2-(3,5-dimethyl-2-phenylimidazol-4-yl)-2-pyrrolidin-1-ylethanamine?
2-(3,5-dimethyl-2-phenylimidazol-4-yl)-2-pyrrolidin-1-ylethanamine has a molecular weight of 284.41 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-2-phenylimidazol-4-yl)-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 84743590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).