(4-imidazol-1-ylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone

C16H20N4O — CID 119650241

IUPAC(4-imidazol-1-ylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCNCC1CCCN1C(=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H20N4O/c1-17-11-15-3-2-9-20(15)16(21)13-4-6-14(7-5-13)19-10-8-18-12-19/h4-8,10,12,15,17H,2-3,9,11H2,1H3
InChIKeyDKNVUJRMPQLFOM-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.70
Rot. Bonds4

About (4-imidazol-1-ylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone

(4-imidazol-1-ylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone (PubChem CID 119650241) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is (4-imidazol-1-ylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-imidazol-1-ylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
PubChem CID119650241
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name(4-imidazol-1-ylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCNCC1CCCN1C(=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H20N4O/c1-17-11-15-3-2-9-20(15)16(21)13-4-6-14(7-5-13)19-10-8-18-12-19/h4-8,10,12,15,17H,2-3,9,11H2,1H3
InChIKeyDKNVUJRMPQLFOM-UHFFFAOYSA-N
XLogP1.70
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-imidazol-1-ylphenyl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95324252
[2-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 63249644
(4-imidazol-1-ylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 47159866
[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(4-imidazol-1-ylphenyl)methanone
CID 129430226
(4-imidazol-1-ylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119490395
(4-chlorophenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119650883
[(2S)-2-[[4-(hydroxymethyl)triazol-1-yl]methyl]pyrrolidin-1-yl]-(4-imidazol-1-ylphenyl)methanone
CID 120949941
1-[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 119649565
[4-(benzimidazol-1-yl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119649370
azetidin-1-yl-(4-imidazol-1-ylphenyl)methanone
CID 166196826
[2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
CID 115316307
(4-hydroxy-3-methylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 107672250

Frequently Asked Questions

What is the IUPAC name of (4-imidazol-1-ylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-imidazol-1-ylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone (CID 119650241) is (4-imidazol-1-ylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-imidazol-1-ylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-imidazol-1-ylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone is CNCC1CCCN1C(=O)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of (4-imidazol-1-ylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The InChIKey is DKNVUJRMPQLFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-17-11-15-3-2-9-20(15)16(21)13-4-6-14(7-5-13)19-10-8-18-12-19/h4-8,10,12,15,17H,2-3,9,11H2,1H3.
What are the key properties of (4-imidazol-1-ylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
(4-imidazol-1-ylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone has a molecular weight of 284.36 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-imidazol-1-ylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 119650241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).