N-[(2,5-dichloro-3-methylimidazol-4-yl)methyl]-1-(2-methylcyclopropyl)methanamine

C10H15Cl2N3 — CID 115684293

IUPACN-[(2,5-dichloro-3-methylimidazol-4-yl)methyl]-1-(2-methylcyclopropyl)methanamine
SMILESCC1CC1CNCc1c(Cl)nc(Cl)n1C
InChIInChI=1S/C10H15Cl2N3/c1-6-3-7(6)4-13-5-8-9(11)14-10(12)15(8)2/h6-7,13H,3-5H2,1-2H3
InChIKeyLGEFVORFYOFHNG-UHFFFAOYSA-N
MW248.16 g/mol
LogP2.47
Rot. Bonds4

About N-[(2,5-dichloro-3-methylimidazol-4-yl)methyl]-1-(2-methylcyclopropyl)methanamine

N-[(2,5-dichloro-3-methylimidazol-4-yl)methyl]-1-(2-methylcyclopropyl)methanamine (PubChem CID 115684293) has the molecular formula C10H15Cl2N3 and a molecular weight of 248.16 g/mol. Its IUPAC name is N-[(2,5-dichloro-3-methylimidazol-4-yl)methyl]-1-(2-methylcyclopropyl)methanamine.

Molecular Properties

Compound NameN-[(2,5-dichloro-3-methylimidazol-4-yl)methyl]-1-(2-methylcyclopropyl)methanamine
PubChem CID115684293
Molecular FormulaC10H15Cl2N3
Molecular Weight248.16 g/mol
Exact Mass247.06
IUPAC NameN-[(2,5-dichloro-3-methylimidazol-4-yl)methyl]-1-(2-methylcyclopropyl)methanamine
SMILESCC1CC1CNCc1c(Cl)nc(Cl)n1C
InChIInChI=1S/C10H15Cl2N3/c1-6-3-7(6)4-13-5-8-9(11)14-10(12)15(8)2/h6-7,13H,3-5H2,1-2H3
InChIKeyLGEFVORFYOFHNG-UHFFFAOYSA-N
XLogP2.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2-butyl-5-chloro-1H-imidazol-4-yl)methyl](methyl)amine dihydrochloride
CID 167740992
N-[(2,5-dichloro-3-methylimidazol-4-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 115684458
N-[(2,5-dichloro-3-methylimidazol-4-yl)methyl]-3-fluoropropan-1-amine
CID 115733062
1-[[(2,5-dichloro-3-methylimidazol-4-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 53591380
2-(4-chloro-2,5-dimethylimidazol-1-yl)-N-methylethanamine
CID 22290040
1-(4-chloro-2,5-dimethylimidazol-1-yl)-N-methylethanamine
CID 22364400
(2-Butyl-5-chloro-3-methylimidazol-4-yl)methanamine
CID 58769073
2-(5-chloro-2,4-dimethylimidazol-1-yl)-N-methylethanamine
CID 67067655
N'-[(5-chloro-3-methylimidazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 118970804
N'-[(5-chloro-3-propylimidazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 118971370
2,4-Dichloro-1-methyl-5-[(3-propylpyrrolidin-1-yl)methyl]imidazole
CID 141416417
({1-[(2-butyl-5-chloro-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl}methyl)amine
CID 56700833

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichloro-3-methylimidazol-4-yl)methyl]-1-(2-methylcyclopropyl)methanamine?
The IUPAC name of N-[(2,5-dichloro-3-methylimidazol-4-yl)methyl]-1-(2-methylcyclopropyl)methanamine (CID 115684293) is N-[(2,5-dichloro-3-methylimidazol-4-yl)methyl]-1-(2-methylcyclopropyl)methanamine.
What is the SMILES notation for N-[(2,5-dichloro-3-methylimidazol-4-yl)methyl]-1-(2-methylcyclopropyl)methanamine?
The canonical SMILES for N-[(2,5-dichloro-3-methylimidazol-4-yl)methyl]-1-(2-methylcyclopropyl)methanamine is CC1CC1CNCc1c(Cl)nc(Cl)n1C.
What is the InChIKey of N-[(2,5-dichloro-3-methylimidazol-4-yl)methyl]-1-(2-methylcyclopropyl)methanamine?
The InChIKey is LGEFVORFYOFHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl2N3/c1-6-3-7(6)4-13-5-8-9(11)14-10(12)15(8)2/h6-7,13H,3-5H2,1-2H3.
What are the key properties of N-[(2,5-dichloro-3-methylimidazol-4-yl)methyl]-1-(2-methylcyclopropyl)methanamine?
N-[(2,5-dichloro-3-methylimidazol-4-yl)methyl]-1-(2-methylcyclopropyl)methanamine has a molecular weight of 248.16 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichloro-3-methylimidazol-4-yl)methyl]-1-(2-methylcyclopropyl)methanamine is sourced from PubChem (CID 115684293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).