5-methyl-2-[(2-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]-4,5-dihydro-1H-imidazol-3-ium

C10H18N3+ — CID 22090112

IUPAC5-methyl-2-[(2-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]-4,5-dihydro-1H-imidazol-3-ium
SMILESCC1CC=C(CC2=[NH+]CC(C)N2)N1
InChIInChI=1S/C10H17N3/c1-7-3-4-9(12-7)5-10-11-6-8(2)13-10/h4,7-8,12H,3,5-6H2,1-2H3,(H,11,13)/p+1
InChIKeyCIMMGICOWSRWQS-UHFFFAOYSA-O
MW180.27 g/mol
LogP-0.89
Rot. Bonds2

About 5-methyl-2-[(2-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]-4,5-dihydro-1H-imidazol-3-ium

5-methyl-2-[(2-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]-4,5-dihydro-1H-imidazol-3-ium (PubChem CID 22090112) has the molecular formula C10H18N3+ and a molecular weight of 180.27 g/mol. Its IUPAC name is 5-methyl-2-[(2-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]-4,5-dihydro-1H-imidazol-3-ium.

Molecular Properties

Compound Name5-methyl-2-[(2-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]-4,5-dihydro-1H-imidazol-3-ium
PubChem CID22090112
Molecular FormulaC10H18N3+
Molecular Weight180.27 g/mol
Exact Mass180.15
IUPAC Name5-methyl-2-[(2-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]-4,5-dihydro-1H-imidazol-3-ium
SMILESCC1CC=C(CC2=[NH+]CC(C)N2)N1
InChIInChI=1S/C10H17N3/c1-7-3-4-9(12-7)5-10-11-6-8(2)13-10/h4,7-8,12H,3,5-6H2,1-2H3,(H,11,13)/p+1
InChIKeyCIMMGICOWSRWQS-UHFFFAOYSA-O
XLogP-0.89
TPSA38.03 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 5-methyl-2-[(2-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]-4,5-dihydro-1H-imidazol-3-ium with MolForge

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Related Compounds

1-Methyl-2-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]-4,5-dihydroimidazole
CID 20692436
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-(1,2,3,4-Tetrahydropyridin-6-ylmethyl)-1,4,5,6-tetrahydropyrimidin-3-ium
CID 21340216
2-(2,3-dihydro-1H-pyrrol-5-ylmethyl)-4,5-dihydro-1H-imidazol-3-ium
CID 22090056
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
N-[(Z)-hept-3-en-3-yl]-3,4-dihydro-2H-pyrrol-5-amine
CID 132001887
2-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-propylidene-1H-imidazol-2-yl]ethanamine;ethane
CID 142302201
N,N'-dimethyl-N'-(6-methyl-3,4-dihydropyridin-2-yl)ethane-1,2-diamine
CID 142349265
N-[(1S)-1-[(4E,5E)-4-ethylidene-5-propylidene-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 166703689

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(2-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]-4,5-dihydro-1H-imidazol-3-ium?
The IUPAC name of 5-methyl-2-[(2-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]-4,5-dihydro-1H-imidazol-3-ium (CID 22090112) is 5-methyl-2-[(2-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]-4,5-dihydro-1H-imidazol-3-ium.
What is the SMILES notation for 5-methyl-2-[(2-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]-4,5-dihydro-1H-imidazol-3-ium?
The canonical SMILES for 5-methyl-2-[(2-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]-4,5-dihydro-1H-imidazol-3-ium is CC1CC=C(CC2=[NH+]CC(C)N2)N1.
What is the InChIKey of 5-methyl-2-[(2-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]-4,5-dihydro-1H-imidazol-3-ium?
The InChIKey is CIMMGICOWSRWQS-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H17N3/c1-7-3-4-9(12-7)5-10-11-6-8(2)13-10/h4,7-8,12H,3,5-6H2,1-2H3,(H,11,13)/p+1.
What are the key properties of 5-methyl-2-[(2-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]-4,5-dihydro-1H-imidazol-3-ium?
5-methyl-2-[(2-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]-4,5-dihydro-1H-imidazol-3-ium has a molecular weight of 180.27 g/mol, XLogP of -0.89, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(2-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]-4,5-dihydro-1H-imidazol-3-ium is sourced from PubChem (CID 22090112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).