3-imidazol-1-yl-1-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one

C14H19N5O — CID 110104632

IUPAC3-imidazol-1-yl-1-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one
SMILESCc1cnc(C2CCN(C(=O)CCn3ccnc3)C2)[nH]1
InChIInChI=1S/C14H19N5O/c1-11-8-16-14(17-11)12-2-6-19(9-12)13(20)3-5-18-7-4-15-10-18/h4,7-8,10,12H,2-3,5-6,9H2,1H3,(H,16,17)
InChIKeyYCOINRRECLFECI-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.32
Rot. Bonds4

About 3-imidazol-1-yl-1-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one

3-imidazol-1-yl-1-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one (PubChem CID 110104632) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-imidazol-1-yl-1-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-imidazol-1-yl-1-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one
PubChem CID110104632
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name3-imidazol-1-yl-1-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one
SMILESCc1cnc(C2CCN(C(=O)CCn3ccnc3)C2)[nH]1
InChIInChI=1S/C14H19N5O/c1-11-8-16-14(17-11)12-2-6-19(9-12)13(20)3-5-18-7-4-15-10-18/h4,7-8,10,12H,2-3,5-6,9H2,1H3,(H,16,17)
InChIKeyYCOINRRECLFECI-UHFFFAOYSA-N
XLogP1.32
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 66260854
1-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 124996250
3-imidazol-1-yl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one
CID 81469967
3-(2-fluorophenyl)-1-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 110104760
3-(benzimidazol-1-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
CID 132764398
3-imidazol-1-yl-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 124966328
2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 124960108
3-imidazol-1-yl-1-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95779153
1-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 124998813
2-(azepan-1-yl)-1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 124962539
3-(4-chlorophenyl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
CID 110104195
1-[2-(hydroxymethyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one
CID 81208109

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-1-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-imidazol-1-yl-1-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one (CID 110104632) is 3-imidazol-1-yl-1-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-imidazol-1-yl-1-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-imidazol-1-yl-1-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one is Cc1cnc(C2CCN(C(=O)CCn3ccnc3)C2)[nH]1.
What is the InChIKey of 3-imidazol-1-yl-1-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is YCOINRRECLFECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-11-8-16-14(17-11)12-2-6-19(9-12)13(20)3-5-18-7-4-15-10-18/h4,7-8,10,12H,2-3,5-6,9H2,1H3,(H,16,17).
What are the key properties of 3-imidazol-1-yl-1-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one?
3-imidazol-1-yl-1-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 273.34 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-1-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 110104632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).