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

C13H21N3 — CID 90488067

IUPAC1-(cyclopropylmethyl)-5-methyl-2-(pyrrolidin-3-ylmethyl)imidazole
SMILESCc1cnc(CC2CCNC2)n1CC1CC1
InChIInChI=1S/C13H21N3/c1-10-7-15-13(6-12-4-5-14-8-12)16(10)9-11-2-3-11/h7,11-12,14H,2-6,8-9H2,1H3
InChIKeyHKSRFCXXYNMXJV-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.75
Rot. Bonds4

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

1-(cyclopropylmethyl)-5-methyl-2-(pyrrolidin-3-ylmethyl)imidazole (PubChem CID 90488067) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-methyl-2-(pyrrolidin-3-ylmethyl)imidazole.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-methyl-2-(pyrrolidin-3-ylmethyl)imidazole
PubChem CID90488067
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-(cyclopropylmethyl)-5-methyl-2-(pyrrolidin-3-ylmethyl)imidazole
SMILESCc1cnc(CC2CCNC2)n1CC1CC1
InChIInChI=1S/C13H21N3/c1-10-7-15-13(6-12-4-5-14-8-12)16(10)9-11-2-3-11/h7,11-12,14H,2-6,8-9H2,1H3
InChIKeyHKSRFCXXYNMXJV-UHFFFAOYSA-N
XLogP1.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-methyl-2-(pyrrolidin-3-ylmethyl)imidazole?
The IUPAC name of 1-(cyclopropylmethyl)-5-methyl-2-(pyrrolidin-3-ylmethyl)imidazole (CID 90488067) is 1-(cyclopropylmethyl)-5-methyl-2-(pyrrolidin-3-ylmethyl)imidazole.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-methyl-2-(pyrrolidin-3-ylmethyl)imidazole?
The canonical SMILES for 1-(cyclopropylmethyl)-5-methyl-2-(pyrrolidin-3-ylmethyl)imidazole is Cc1cnc(CC2CCNC2)n1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-5-methyl-2-(pyrrolidin-3-ylmethyl)imidazole?
The InChIKey is HKSRFCXXYNMXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-10-7-15-13(6-12-4-5-14-8-12)16(10)9-11-2-3-11/h7,11-12,14H,2-6,8-9H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-5-methyl-2-(pyrrolidin-3-ylmethyl)imidazole?
1-(cyclopropylmethyl)-5-methyl-2-(pyrrolidin-3-ylmethyl)imidazole has a molecular weight of 219.33 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-methyl-2-(pyrrolidin-3-ylmethyl)imidazole is sourced from PubChem (CID 90488067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).