1-(2,2-dimethylcyclopropyl)-5-(3-methylpyrrolidin-3-yl)imidazole

C13H21N3 — CID 114718607

IUPAC1-(2,2-dimethylcyclopropyl)-5-(3-methylpyrrolidin-3-yl)imidazole
SMILESCC1(c2cncn2C2CC2(C)C)CCNC1
InChIInChI=1S/C13H21N3/c1-12(2)6-10(12)16-9-15-7-11(16)13(3)4-5-14-8-13/h7,9-10,14H,4-6,8H2,1-3H3
InChIKeyFNWZAXWAPSHLPV-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.11
Rot. Bonds2

About 1-(2,2-dimethylcyclopropyl)-5-(3-methylpyrrolidin-3-yl)imidazole

1-(2,2-dimethylcyclopropyl)-5-(3-methylpyrrolidin-3-yl)imidazole (PubChem CID 114718607) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopropyl)-5-(3-methylpyrrolidin-3-yl)imidazole.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopropyl)-5-(3-methylpyrrolidin-3-yl)imidazole
PubChem CID114718607
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-(2,2-dimethylcyclopropyl)-5-(3-methylpyrrolidin-3-yl)imidazole
SMILESCC1(c2cncn2C2CC2(C)C)CCNC1
InChIInChI=1S/C13H21N3/c1-12(2)6-10(12)16-9-15-7-11(16)13(3)4-5-14-8-13/h7,9-10,14H,4-6,8H2,1-3H3
InChIKeyFNWZAXWAPSHLPV-UHFFFAOYSA-N
XLogP2.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopropyl)-5-(3-methylpyrrolidin-3-yl)imidazole?
The IUPAC name of 1-(2,2-dimethylcyclopropyl)-5-(3-methylpyrrolidin-3-yl)imidazole (CID 114718607) is 1-(2,2-dimethylcyclopropyl)-5-(3-methylpyrrolidin-3-yl)imidazole.
What is the SMILES notation for 1-(2,2-dimethylcyclopropyl)-5-(3-methylpyrrolidin-3-yl)imidazole?
The canonical SMILES for 1-(2,2-dimethylcyclopropyl)-5-(3-methylpyrrolidin-3-yl)imidazole is CC1(c2cncn2C2CC2(C)C)CCNC1.
What is the InChIKey of 1-(2,2-dimethylcyclopropyl)-5-(3-methylpyrrolidin-3-yl)imidazole?
The InChIKey is FNWZAXWAPSHLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-12(2)6-10(12)16-9-15-7-11(16)13(3)4-5-14-8-13/h7,9-10,14H,4-6,8H2,1-3H3.
What are the key properties of 1-(2,2-dimethylcyclopropyl)-5-(3-methylpyrrolidin-3-yl)imidazole?
1-(2,2-dimethylcyclopropyl)-5-(3-methylpyrrolidin-3-yl)imidazole has a molecular weight of 219.33 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopropyl)-5-(3-methylpyrrolidin-3-yl)imidazole is sourced from PubChem (CID 114718607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).