2-[4-(2,3-dihydro-1H-pyrrol-5-yl)butyl]-4,5-dihydro-1H-imidazole

C11H19N3 — CID 22886486

IUPAC2-[4-(2,3-dihydro-1H-pyrrol-5-yl)butyl]-4,5-dihydro-1H-imidazole
SMILESC1=C(CCCCC2=NCCN2)NCC1
InChIInChI=1S/C11H19N3/c1(4-10-5-3-7-12-10)2-6-11-13-8-9-14-11/h5,12H,1-4,6-9H2,(H,13,14)
InChIKeyNGBDNZRRJQMHSG-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.43
Rot. Bonds5

About 2-[4-(2,3-dihydro-1H-pyrrol-5-yl)butyl]-4,5-dihydro-1H-imidazole

2-[4-(2,3-dihydro-1H-pyrrol-5-yl)butyl]-4,5-dihydro-1H-imidazole (PubChem CID 22886486) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1H-pyrrol-5-yl)butyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[4-(2,3-dihydro-1H-pyrrol-5-yl)butyl]-4,5-dihydro-1H-imidazole
PubChem CID22886486
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2-[4-(2,3-dihydro-1H-pyrrol-5-yl)butyl]-4,5-dihydro-1H-imidazole
SMILESC1=C(CCCCC2=NCCN2)NCC1
InChIInChI=1S/C11H19N3/c1(4-10-5-3-7-12-10)2-6-11-13-8-9-14-11/h5,12H,1-4,6-9H2,(H,13,14)
InChIKeyNGBDNZRRJQMHSG-UHFFFAOYSA-N
XLogP1.43
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(5R)-2-methyl-5,6,7,7a-tetrahydro-3H-benzimidazol-5-amine
CID 155289082
2-(2,3-dihydro-1H-pyrrol-5-ylmethyl)-4,5-dihydro-1H-imidazole
CID 20692443
5-methyl-2-[(2-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]-4,5-dihydro-1H-imidazole
CID 20692450
2-[3-(1,2,3,4-Tetrahydropyridin-6-yl)propyl]-1,4,5,6-tetrahydropyrimidin-3-ium
CID 21340230
2-[3-(1,2,3,4-Tetrahydropyridin-6-yl)propyl]-1,4,5,6-tetrahydropyrimidine
CID 21340231
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-(1,2,3,4-Tetrahydropyridin-6-yl)butyl]-1,4,5,6-tetrahydropyrimidine
CID 22886485
5-methyl-2-[2-(2-methyl-2,3-dihydro-1H-pyrrol-5-yl)ethyl]-4,5-dihydro-1H-imidazole
CID 22886502
7-pentyl-2,3-dihydro-1H-1,4-diazepin-5-amine
CID 69443040
7-(5-methyl-2-methylimino-3H-pyrrol-1-yl)heptan-1-amine
CID 71215593

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydro-1H-pyrrol-5-yl)butyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[4-(2,3-dihydro-1H-pyrrol-5-yl)butyl]-4,5-dihydro-1H-imidazole (CID 22886486) is 2-[4-(2,3-dihydro-1H-pyrrol-5-yl)butyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[4-(2,3-dihydro-1H-pyrrol-5-yl)butyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[4-(2,3-dihydro-1H-pyrrol-5-yl)butyl]-4,5-dihydro-1H-imidazole is C1=C(CCCCC2=NCCN2)NCC1.
What is the InChIKey of 2-[4-(2,3-dihydro-1H-pyrrol-5-yl)butyl]-4,5-dihydro-1H-imidazole?
The InChIKey is NGBDNZRRJQMHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1(4-10-5-3-7-12-10)2-6-11-13-8-9-14-11/h5,12H,1-4,6-9H2,(H,13,14).
What are the key properties of 2-[4-(2,3-dihydro-1H-pyrrol-5-yl)butyl]-4,5-dihydro-1H-imidazole?
2-[4-(2,3-dihydro-1H-pyrrol-5-yl)butyl]-4,5-dihydro-1H-imidazole has a molecular weight of 193.29 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydro-1H-pyrrol-5-yl)butyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 22886486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).