2-(2,3-dihydro-1H-pyrrol-5-ylmethyl)-4,5-dihydro-1H-imidazole

C8H13N3 — CID 20692443

IUPAC2-(2,3-dihydro-1H-pyrrol-5-ylmethyl)-4,5-dihydro-1H-imidazole
SMILESC1=C(CC2=NCCN2)NCC1
InChIInChI=1S/C8H13N3/c1-2-7(9-3-1)6-8-10-4-5-11-8/h2,9H,1,3-6H2,(H,10,11)
InChIKeyXAKAUNMDMFJUDY-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.26
Rot. Bonds2

About 2-(2,3-dihydro-1H-pyrrol-5-ylmethyl)-4,5-dihydro-1H-imidazole

2-(2,3-dihydro-1H-pyrrol-5-ylmethyl)-4,5-dihydro-1H-imidazole (PubChem CID 20692443) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-pyrrol-5-ylmethyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-pyrrol-5-ylmethyl)-4,5-dihydro-1H-imidazole
PubChem CID20692443
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name2-(2,3-dihydro-1H-pyrrol-5-ylmethyl)-4,5-dihydro-1H-imidazole
SMILESC1=C(CC2=NCCN2)NCC1
InChIInChI=1S/C8H13N3/c1-2-7(9-3-1)6-8-10-4-5-11-8/h2,9H,1,3-6H2,(H,10,11)
InChIKeyXAKAUNMDMFJUDY-UHFFFAOYSA-N
XLogP0.26
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4,5-dihydro-1H-imidazol-2-yl)-3,5-dimethylpyrazole
CID 18506506
1-Methyl-2-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]-4,5-dihydroimidazole
CID 20692436
5-methyl-2-[(2-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]-4,5-dihydro-1H-imidazole
CID 20692450
2-[1-(2,3-dihydro-1H-pyrrol-5-yl)ethenyl]-4,5-dihydro-1H-imidazol-3-ium
CID 22090024
2-(2,3-dihydro-1H-pyrrol-5-ylmethyl)-4,5-dihydro-1H-imidazol-3-ium
CID 22090056
5-methyl-2-[(2-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]-4,5-dihydro-1H-imidazol-3-ium
CID 22090112
2-[2-(2,3-dihydro-1H-pyrrol-5-yl)ethyl]-4,5-dihydro-1H-imidazole
CID 22886477
2-[4-(2,3-dihydro-1H-pyrrol-5-yl)butyl]-4,5-dihydro-1H-imidazole
CID 22886486
5-methyl-2-[2-(2-methyl-2,3-dihydro-1H-pyrrol-5-yl)ethyl]-4,5-dihydro-1H-imidazole
CID 22886502
2-pent-2-enyl-4,5-dihydro-1H-imidazole
CID 90193128
8-Methyl-3,7,9-triazabicyclo[4.3.1]deca-6(10),8-diene
CID 130257225
2-[4-(4,5-dihydro-1H-imidazol-2-yl)but-2-enyl]-4,5-dihydro-1H-imidazole
CID 139882723

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-pyrrol-5-ylmethyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(2,3-dihydro-1H-pyrrol-5-ylmethyl)-4,5-dihydro-1H-imidazole (CID 20692443) is 2-(2,3-dihydro-1H-pyrrol-5-ylmethyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(2,3-dihydro-1H-pyrrol-5-ylmethyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(2,3-dihydro-1H-pyrrol-5-ylmethyl)-4,5-dihydro-1H-imidazole is C1=C(CC2=NCCN2)NCC1.
What is the InChIKey of 2-(2,3-dihydro-1H-pyrrol-5-ylmethyl)-4,5-dihydro-1H-imidazole?
The InChIKey is XAKAUNMDMFJUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-2-7(9-3-1)6-8-10-4-5-11-8/h2,9H,1,3-6H2,(H,10,11).
What are the key properties of 2-(2,3-dihydro-1H-pyrrol-5-ylmethyl)-4,5-dihydro-1H-imidazole?
2-(2,3-dihydro-1H-pyrrol-5-ylmethyl)-4,5-dihydro-1H-imidazole has a molecular weight of 151.21 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-pyrrol-5-ylmethyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 20692443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).