2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethyl-propan-2-ylazanium

C14H21N4+ — CID 3636384

IUPAC2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethyl-propan-2-ylazanium
SMILESCC(C)[NH2+]CCN1CCn2c1nc1ccccc12
InChIInChI=1S/C14H20N4/c1-11(2)15-7-8-17-9-10-18-13-6-4-3-5-12(13)16-14(17)18/h3-6,11,15H,7-10H2,1-2H3/p+1
InChIKeyFDMROPWYZGNZIL-UHFFFAOYSA-O
MW245.35 g/mol
LogP0.83
Rot. Bonds4

About 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethyl-propan-2-ylazanium

2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethyl-propan-2-ylazanium (PubChem CID 3636384) has the molecular formula C14H21N4+ and a molecular weight of 245.35 g/mol. Its IUPAC name is 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethyl-propan-2-ylazanium.

Molecular Properties

Compound Name2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethyl-propan-2-ylazanium
PubChem CID3636384
Molecular FormulaC14H21N4+
Molecular Weight245.35 g/mol
Exact Mass245.18
IUPAC Name2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethyl-propan-2-ylazanium
SMILESCC(C)[NH2+]CCN1CCn2c1nc1ccccc12
InChIInChI=1S/C14H20N4/c1-11(2)15-7-8-17-9-10-18-13-6-4-3-5-12(13)16-14(17)18/h3-6,11,15H,7-10H2,1-2H3/p+1
InChIKeyFDMROPWYZGNZIL-UHFFFAOYSA-O
XLogP0.83
TPSA37.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethanamine
CID 96619297
2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-N-methylethanamine
CID 15142712
2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethanol
CID 19876800
3-[2-(4-benzylpiperidin-1-yl)ethyl]-1,2-dihydroimidazo[1,2-a]benzimidazole
CID 4668560
1-(4-chlorophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethanone
CID 23847688
3-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-1,2-dihydroimidazo[1,2-a]benzimidazole
CID 155520000
4-[2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)ethyl]morpholine;1-(2-piperidin-1-ylethyl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
CID 157491856
N-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethyl]-4-(methanesulfonamido)-N-methylbenzenesulfonamide
CID 15142713
(2S)-2-amino-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-3-methylbutan-1-one;hydrochloride
CID 119265449
3-(3-methylbutyl)-1-[[(2R)-oxolan-2-yl]methyl]-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole
CID 124717215
(2R)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-3-methylbutanoic acid
CID 92506559
3-(2-tert-butylimidazo[1,2-a]benzimidazol-3-yl)propyl-propan-2-ylazanium
CID 7390394

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethyl-propan-2-ylazanium?
The IUPAC name of 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethyl-propan-2-ylazanium (CID 3636384) is 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethyl-propan-2-ylazanium.
What is the SMILES notation for 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethyl-propan-2-ylazanium?
The canonical SMILES for 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethyl-propan-2-ylazanium is CC(C)[NH2+]CCN1CCn2c1nc1ccccc12.
What is the InChIKey of 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethyl-propan-2-ylazanium?
The InChIKey is FDMROPWYZGNZIL-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H20N4/c1-11(2)15-7-8-17-9-10-18-13-6-4-3-5-12(13)16-14(17)18/h3-6,11,15H,7-10H2,1-2H3/p+1.
What are the key properties of 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethyl-propan-2-ylazanium?
2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethyl-propan-2-ylazanium has a molecular weight of 245.35 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethyl-propan-2-ylazanium is sourced from PubChem (CID 3636384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).