1-cyclopropyl-5-methyl-2-(pyrrolidin-3-ylmethyl)imidazole

C12H19N3 — CID 90488069

IUPAC1-cyclopropyl-5-methyl-2-(pyrrolidin-3-ylmethyl)imidazole
SMILESCc1cnc(CC2CCNC2)n1C1CC1
InChIInChI=1S/C12H19N3/c1-9-7-14-12(15(9)11-2-3-11)6-10-4-5-13-8-10/h7,10-11,13H,2-6,8H2,1H3
InChIKeyOFQUTIWAUDMXIA-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.68
Rot. Bonds3

About 1-cyclopropyl-5-methyl-2-(pyrrolidin-3-ylmethyl)imidazole

1-cyclopropyl-5-methyl-2-(pyrrolidin-3-ylmethyl)imidazole (PubChem CID 90488069) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-cyclopropyl-5-methyl-2-(pyrrolidin-3-ylmethyl)imidazole.

Molecular Properties

Compound Name1-cyclopropyl-5-methyl-2-(pyrrolidin-3-ylmethyl)imidazole
PubChem CID90488069
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name1-cyclopropyl-5-methyl-2-(pyrrolidin-3-ylmethyl)imidazole
SMILESCc1cnc(CC2CCNC2)n1C1CC1
InChIInChI=1S/C12H19N3/c1-9-7-14-12(15(9)11-2-3-11)6-10-4-5-13-8-10/h7,10-11,13H,2-6,8H2,1H3
InChIKeyOFQUTIWAUDMXIA-UHFFFAOYSA-N
XLogP1.68
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-methyl-2-(pyrrolidin-3-ylmethyl)imidazole?
The IUPAC name of 1-cyclopropyl-5-methyl-2-(pyrrolidin-3-ylmethyl)imidazole (CID 90488069) is 1-cyclopropyl-5-methyl-2-(pyrrolidin-3-ylmethyl)imidazole.
What is the SMILES notation for 1-cyclopropyl-5-methyl-2-(pyrrolidin-3-ylmethyl)imidazole?
The canonical SMILES for 1-cyclopropyl-5-methyl-2-(pyrrolidin-3-ylmethyl)imidazole is Cc1cnc(CC2CCNC2)n1C1CC1.
What is the InChIKey of 1-cyclopropyl-5-methyl-2-(pyrrolidin-3-ylmethyl)imidazole?
The InChIKey is OFQUTIWAUDMXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-9-7-14-12(15(9)11-2-3-11)6-10-4-5-13-8-10/h7,10-11,13H,2-6,8H2,1H3.
What are the key properties of 1-cyclopropyl-5-methyl-2-(pyrrolidin-3-ylmethyl)imidazole?
1-cyclopropyl-5-methyl-2-(pyrrolidin-3-ylmethyl)imidazole has a molecular weight of 205.30 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-methyl-2-(pyrrolidin-3-ylmethyl)imidazole is sourced from PubChem (CID 90488069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).