2-chloro-N,N-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-amine

C8H12ClN3 — CID 123211990

IUPAC2-chloro-N,N-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-amine
SMILESCN(C)c1c(Cl)nc2n1CCC2
InChIInChI=1S/C8H12ClN3/c1-11(2)8-7(9)10-6-4-3-5-12(6)8/h3-5H2,1-2H3
InChIKeyWCRKJBZSOHCGKZ-UHFFFAOYSA-N
MW185.66 g/mol
LogP1.55
Rot. Bonds1

About 2-chloro-N,N-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-amine

2-chloro-N,N-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-amine (PubChem CID 123211990) has the molecular formula C8H12ClN3 and a molecular weight of 185.66 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-amine.

Molecular Properties

Compound Name2-chloro-N,N-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-amine
PubChem CID123211990
Molecular FormulaC8H12ClN3
Molecular Weight185.66 g/mol
Exact Mass185.07
IUPAC Name2-chloro-N,N-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-amine
SMILESCN(C)c1c(Cl)nc2n1CCC2
InChIInChI=1S/C8H12ClN3/c1-11(2)8-7(9)10-6-4-3-5-12(6)8/h3-5H2,1-2H3
InChIKeyWCRKJBZSOHCGKZ-UHFFFAOYSA-N
XLogP1.55
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.66
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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
3-bromo-2-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 84699047
1-(2-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-2-(methylamino)ethanone
CID 112546236
1-(2-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)cyclopropan-1-amine
CID 84782126
3-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-sulfonyl chloride
CID 84702385
(3-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methanol
CID 84660796
2-bromo-3-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 84699046
6,7,8,9-tetrachloro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole
CID 165351379
4-chloro-6,7,8,9-tetrahydropurino[9,8-a]pyridine
CID 53213130
N-[(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)methyl]-N-methylhydroxylamine
CID 84780839
6,7-dimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
CID 695586

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-amine?
The IUPAC name of 2-chloro-N,N-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-amine (CID 123211990) is 2-chloro-N,N-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-amine.
What is the SMILES notation for 2-chloro-N,N-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-amine?
The canonical SMILES for 2-chloro-N,N-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-amine is CN(C)c1c(Cl)nc2n1CCC2.
What is the InChIKey of 2-chloro-N,N-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-amine?
The InChIKey is WCRKJBZSOHCGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3/c1-11(2)8-7(9)10-6-4-3-5-12(6)8/h3-5H2,1-2H3.
What are the key properties of 2-chloro-N,N-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-amine?
2-chloro-N,N-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-amine has a molecular weight of 185.66 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-amine is sourced from PubChem (CID 123211990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).