2-(imidazolidin-1-ium-2-ylidenemethyl)-4,5-dihydro-1H-imidazole

C7H13N4+ — CID 102382815

IUPAC2-(imidazolidin-1-ium-2-ylidenemethyl)-4,5-dihydro-1H-imidazole
SMILESC(=C1NCC[NH2+]1)C1=NCCN1
InChIInChI=1S/C7H12N4/c1-2-9-6(8-1)5-7-10-3-4-11-7/h5,8-9H,1-4H2,(H,10,11)/p+1
InChIKeyDRNBZKMATBFKPO-UHFFFAOYSA-O
MW153.21 g/mol
LogP-2.00
Rot. Bonds1

About 2-(imidazolidin-1-ium-2-ylidenemethyl)-4,5-dihydro-1H-imidazole

2-(imidazolidin-1-ium-2-ylidenemethyl)-4,5-dihydro-1H-imidazole (PubChem CID 102382815) has the molecular formula C7H13N4+ and a molecular weight of 153.21 g/mol. Its IUPAC name is 2-(imidazolidin-1-ium-2-ylidenemethyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(imidazolidin-1-ium-2-ylidenemethyl)-4,5-dihydro-1H-imidazole
PubChem CID102382815
Molecular FormulaC7H13N4+
Molecular Weight153.21 g/mol
Exact Mass153.11
IUPAC Name2-(imidazolidin-1-ium-2-ylidenemethyl)-4,5-dihydro-1H-imidazole
SMILESC(=C1NCC[NH2+]1)C1=NCCN1
InChIInChI=1S/C7H12N4/c1-2-9-6(8-1)5-7-10-3-4-11-7/h5,8-9H,1-4H2,(H,10,11)/p+1
InChIKeyDRNBZKMATBFKPO-UHFFFAOYSA-O
XLogP-2.00
TPSA53.03 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.21
LogP ≤ 5-2.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(imidazolidin-1-ium-2-ylidenemethyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(imidazolidin-1-ium-2-ylidenemethyl)-4,5-dihydro-1H-imidazole (CID 102382815) is 2-(imidazolidin-1-ium-2-ylidenemethyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(imidazolidin-1-ium-2-ylidenemethyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(imidazolidin-1-ium-2-ylidenemethyl)-4,5-dihydro-1H-imidazole is C(=C1NCC[NH2+]1)C1=NCCN1.
What is the InChIKey of 2-(imidazolidin-1-ium-2-ylidenemethyl)-4,5-dihydro-1H-imidazole?
The InChIKey is DRNBZKMATBFKPO-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H12N4/c1-2-9-6(8-1)5-7-10-3-4-11-7/h5,8-9H,1-4H2,(H,10,11)/p+1.
What are the key properties of 2-(imidazolidin-1-ium-2-ylidenemethyl)-4,5-dihydro-1H-imidazole?
2-(imidazolidin-1-ium-2-ylidenemethyl)-4,5-dihydro-1H-imidazole has a molecular weight of 153.21 g/mol, XLogP of -2.00, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazolidin-1-ium-2-ylidenemethyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 102382815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).