1-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]-2-methylpropan-1-one

C16H25N3O — CID 110198063

IUPAC1-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCc1cnc(CC2CCN(C(=O)C(C)C)C2)n1C1CC1
InChIInChI=1S/C16H25N3O/c1-11(2)16(20)18-7-6-13(10-18)8-15-17-9-12(3)19(15)14-4-5-14/h9,11,13-14H,4-8,10H2,1-3H3
InChIKeyDBSNRTFCXIJBKB-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.57
Rot. Bonds4

About 1-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]-2-methylpropan-1-one

1-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]-2-methylpropan-1-one (PubChem CID 110198063) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]-2-methylpropan-1-one
PubChem CID110198063
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCc1cnc(CC2CCN(C(=O)C(C)C)C2)n1C1CC1
InChIInChI=1S/C16H25N3O/c1-11(2)16(20)18-7-6-13(10-18)8-15-17-9-12(3)19(15)14-4-5-14/h9,11,13-14H,4-8,10H2,1-3H3
InChIKeyDBSNRTFCXIJBKB-UHFFFAOYSA-N
XLogP2.57
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]-2-methylpropan-1-one (CID 110198063) is 1-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]-2-methylpropan-1-one is Cc1cnc(CC2CCN(C(=O)C(C)C)C2)n1C1CC1.
What is the InChIKey of 1-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]-2-methylpropan-1-one?
The InChIKey is DBSNRTFCXIJBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11(2)16(20)18-7-6-13(10-18)8-15-17-9-12(3)19(15)14-4-5-14/h9,11,13-14H,4-8,10H2,1-3H3.
What are the key properties of 1-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]-2-methylpropan-1-one?
1-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]-2-methylpropan-1-one has a molecular weight of 275.40 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 110198063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).