1-(2-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-2-(methylamino)ethanone

C9H12ClN3O — CID 112546236

IUPAC1-(2-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1c(Cl)nc2n1CCC2
InChIInChI=1S/C9H12ClN3O/c1-11-5-6(14)8-9(10)12-7-3-2-4-13(7)8/h11H,2-5H2,1H3
InChIKeyQWPKQSUOMROLAK-UHFFFAOYSA-N
MW213.67 g/mol
LogP0.88
Rot. Bonds3

About 1-(2-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-2-(methylamino)ethanone

1-(2-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-2-(methylamino)ethanone (PubChem CID 112546236) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 1-(2-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(2-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-2-(methylamino)ethanone
PubChem CID112546236
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name1-(2-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1c(Cl)nc2n1CCC2
InChIInChI=1S/C9H12ClN3O/c1-11-5-6(14)8-9(10)12-7-3-2-4-13(7)8/h11H,2-5H2,1H3
InChIKeyQWPKQSUOMROLAK-UHFFFAOYSA-N
XLogP0.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-3-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 123716974
2-(2-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)propan-2-ol
CID 84669778
2-amino-1-(3-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)ethanone
CID 112545884
2-chloro-N,N-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-amine
CID 123211990
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-(methylamino)acetamide
CID 43698146
methyl 3-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate
CID 130909668
2-[2-(methylaminomethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 130399044
2-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 82392180
1-(6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)butan-1-one
CID 134577357
3-bromo-2-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 84699047
2-(methylamino)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)acetamide;hydrochloride
CID 120703565
2-[(2R)-butan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 125451701

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-2-(methylamino)ethanone?
The IUPAC name of 1-(2-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-2-(methylamino)ethanone (CID 112546236) is 1-(2-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(2-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(2-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-2-(methylamino)ethanone is CNCC(=O)c1c(Cl)nc2n1CCC2.
What is the InChIKey of 1-(2-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-2-(methylamino)ethanone?
The InChIKey is QWPKQSUOMROLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c1-11-5-6(14)8-9(10)12-7-3-2-4-13(7)8/h11H,2-5H2,1H3.
What are the key properties of 1-(2-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-2-(methylamino)ethanone?
1-(2-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-2-(methylamino)ethanone has a molecular weight of 213.67 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-2-(methylamino)ethanone is sourced from PubChem (CID 112546236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).