1-[2,4-bis[(dimethylamino)methyl]-1H-imidazol-5-yl]-N,N-dimethylmethanamine

C12H25N5 — CID 1497411

IUPAC1-[2,4-bis[(dimethylamino)methyl]-1H-imidazol-5-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1nc(CN(C)C)c(CN(C)C)[nH]1
InChIInChI=1S/C12H25N5/c1-15(2)7-10-11(8-16(3)4)14-12(13-10)9-17(5)6/h7-9H2,1-6H3,(H,13,14)
InChIKeyQPSMOELUEFVUNH-UHFFFAOYSA-N
MW239.37 g/mol
LogP0.59
Rot. Bonds6

About 1-[2,4-bis[(dimethylamino)methyl]-1H-imidazol-5-yl]-N,N-dimethylmethanamine

1-[2,4-bis[(dimethylamino)methyl]-1H-imidazol-5-yl]-N,N-dimethylmethanamine (PubChem CID 1497411) has the molecular formula C12H25N5 and a molecular weight of 239.37 g/mol. Its IUPAC name is 1-[2,4-bis[(dimethylamino)methyl]-1H-imidazol-5-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2,4-bis[(dimethylamino)methyl]-1H-imidazol-5-yl]-N,N-dimethylmethanamine
PubChem CID1497411
Molecular FormulaC12H25N5
Molecular Weight239.37 g/mol
Exact Mass239.21
IUPAC Name1-[2,4-bis[(dimethylamino)methyl]-1H-imidazol-5-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1nc(CN(C)C)c(CN(C)C)[nH]1
InChIInChI=1S/C12H25N5/c1-15(2)7-10-11(8-16(3)4)14-12(13-10)9-17(5)6/h7-9H2,1-6H3,(H,13,14)
InChIKeyQPSMOELUEFVUNH-UHFFFAOYSA-N
XLogP0.59
TPSA38.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.37
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,5-Trimethylimidazole
CID 69976
(2,5-Dimethyl-1H-imidazol-4-yl)methanamine
CID 82373820
1-(5-methyl-1H-imidazol-4-yl)methanamine hydrochloride
CID 56773750
1-(2,5-dimethyl-1H-imidazol-4-yl)methanamine dihydrochloride
CID 132305177
[(2-butyl-5-chloro-1H-imidazol-4-yl)methyl](methyl)amine dihydrochloride
CID 167740992
1-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazine
CID 3817838
1-[(4-methyl-1H-imidazol-5-yl)methyl]azocane
CID 6456284
N-[(5-methyl-1H-imidazol-4-yl)methyl]cyclohexanamine
CID 42776872
Dimethyl-propylimidazol
CID 21524486
1-Ethyl-6,7-dihydropurin-6-amine
CID 57484886
(4-methyl-1H-imidazol-5-yl)methanamine
CID 20393969
(4,5-dimethyl-1H-imidazol-2-yl)methanamine
CID 43649200

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-bis[(dimethylamino)methyl]-1H-imidazol-5-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2,4-bis[(dimethylamino)methyl]-1H-imidazol-5-yl]-N,N-dimethylmethanamine (CID 1497411) is 1-[2,4-bis[(dimethylamino)methyl]-1H-imidazol-5-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2,4-bis[(dimethylamino)methyl]-1H-imidazol-5-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2,4-bis[(dimethylamino)methyl]-1H-imidazol-5-yl]-N,N-dimethylmethanamine is CN(C)Cc1nc(CN(C)C)c(CN(C)C)[nH]1.
What is the InChIKey of 1-[2,4-bis[(dimethylamino)methyl]-1H-imidazol-5-yl]-N,N-dimethylmethanamine?
The InChIKey is QPSMOELUEFVUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5/c1-15(2)7-10-11(8-16(3)4)14-12(13-10)9-17(5)6/h7-9H2,1-6H3,(H,13,14).
What are the key properties of 1-[2,4-bis[(dimethylamino)methyl]-1H-imidazol-5-yl]-N,N-dimethylmethanamine?
1-[2,4-bis[(dimethylamino)methyl]-1H-imidazol-5-yl]-N,N-dimethylmethanamine has a molecular weight of 239.37 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-bis[(dimethylamino)methyl]-1H-imidazol-5-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 1497411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).