5-(5-chloro-1-methylimidazol-2-yl)-1-methyl-4,5-dihydroimidazol-2-amine

C8H12ClN5 — CID 130490939

IUPAC5-(5-chloro-1-methylimidazol-2-yl)-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCN1C(N)=NCC1c1ncc(Cl)n1C
InChIInChI=1S/C8H12ClN5/c1-13-5(3-12-8(13)10)7-11-4-6(9)14(7)2/h4-5H,3H2,1-2H3,(H2,10,12)
InChIKeyHZHWKMGCOVEZLY-UHFFFAOYSA-N
MW213.67 g/mol
LogP0.37
Rot. Bonds1

About 5-(5-chloro-1-methylimidazol-2-yl)-1-methyl-4,5-dihydroimidazol-2-amine

5-(5-chloro-1-methylimidazol-2-yl)-1-methyl-4,5-dihydroimidazol-2-amine (PubChem CID 130490939) has the molecular formula C8H12ClN5 and a molecular weight of 213.67 g/mol. Its IUPAC name is 5-(5-chloro-1-methylimidazol-2-yl)-1-methyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(5-chloro-1-methylimidazol-2-yl)-1-methyl-4,5-dihydroimidazol-2-amine
PubChem CID130490939
Molecular FormulaC8H12ClN5
Molecular Weight213.67 g/mol
Exact Mass213.08
IUPAC Name5-(5-chloro-1-methylimidazol-2-yl)-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCN1C(N)=NCC1c1ncc(Cl)n1C
InChIInChI=1S/C8H12ClN5/c1-13-5(3-12-8(13)10)7-11-4-6(9)14(7)2/h4-5H,3H2,1-2H3,(H2,10,12)
InChIKeyHZHWKMGCOVEZLY-UHFFFAOYSA-N
XLogP0.37
TPSA59.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-chloro-1-methylimidazol-2-yl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine
CID 114239557
5-(5-chloro-2-fluorophenyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 114867691
5-chloro-1-methyl-2-(1-methylpyrrolidin-3-yl)imidazole
CID 117259141
5-(3-bromo-4-chlorophenyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 83241409
5-(3-chloro-2-fluorophenyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 114489420
4-(5-chloro-1-methylimidazol-2-yl)-1-propan-2-ylpiperidine
CID 117259172
4-(5-chloro-1-methylimidazol-2-yl)-1-ethylpiperidine
CID 117259171
5-(2,3-difluorophenyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 79510039
5-(1,3-dimethylpyrazol-4-yl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 83094738
2,5-dichloro-1-methylimidazole
CID 21298109
4-amino-5-(5-chloro-1-methylimidazol-2-yl)-1-propan-2-ylpyrrolidin-2-one
CID 114239529
1-methyl-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine
CID 79509586

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-1-methylimidazol-2-yl)-1-methyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(5-chloro-1-methylimidazol-2-yl)-1-methyl-4,5-dihydroimidazol-2-amine (CID 130490939) is 5-(5-chloro-1-methylimidazol-2-yl)-1-methyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(5-chloro-1-methylimidazol-2-yl)-1-methyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(5-chloro-1-methylimidazol-2-yl)-1-methyl-4,5-dihydroimidazol-2-amine is CN1C(N)=NCC1c1ncc(Cl)n1C.
What is the InChIKey of 5-(5-chloro-1-methylimidazol-2-yl)-1-methyl-4,5-dihydroimidazol-2-amine?
The InChIKey is HZHWKMGCOVEZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN5/c1-13-5(3-12-8(13)10)7-11-4-6(9)14(7)2/h4-5H,3H2,1-2H3,(H2,10,12).
What are the key properties of 5-(5-chloro-1-methylimidazol-2-yl)-1-methyl-4,5-dihydroimidazol-2-amine?
5-(5-chloro-1-methylimidazol-2-yl)-1-methyl-4,5-dihydroimidazol-2-amine has a molecular weight of 213.67 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-1-methylimidazol-2-yl)-1-methyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 130490939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).