N-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-2-amine

C12H19N5 — CID 62221278

IUPACN-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nccn1CCn1ccnc1
InChIInChI=1S/C12H19N5/c1-11(2)15-9-12-14-4-6-17(12)8-7-16-5-3-13-10-16/h3-6,10-11,15H,7-9H2,1-2H3
InChIKeyLFPQKFOKHWDQDR-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.28
Rot. Bonds6

About N-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-2-amine

N-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-2-amine (PubChem CID 62221278) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is N-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-2-amine
PubChem CID62221278
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC NameN-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nccn1CCn1ccnc1
InChIInChI=1S/C12H19N5/c1-11(2)15-9-12-14-4-6-17(12)8-7-16-5-3-13-10-16/h3-6,10-11,15H,7-9H2,1-2H3
InChIKeyLFPQKFOKHWDQDR-UHFFFAOYSA-N
XLogP1.28
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-1-amine
CID 62223213
N-[[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]methyl]propan-2-amine
CID 62221280
2-imidazol-1-yl-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 62956678
N-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]propan-2-amine
CID 65181164
N-[[1-(2-phenylsulfanylethyl)imidazol-2-yl]methyl]propan-2-amine
CID 79228825
N-[(1-ethylimidazol-2-yl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 62351544
2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
CID 62223227
N-[[1-[(1-methylpyrazol-4-yl)methyl]imidazol-2-yl]methyl]propan-2-amine
CID 62221815
N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-2-yl]methyl]propan-2-amine
CID 62222871
N-[[3,5-difluoro-4-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 79883268
2-methyl-3-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]propanamide
CID 62222354
N-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 60882800

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-2-amine (CID 62221278) is N-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-2-amine is CC(C)NCc1nccn1CCn1ccnc1.
What is the InChIKey of N-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-2-amine?
The InChIKey is LFPQKFOKHWDQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-11(2)15-9-12-14-4-6-17(12)8-7-16-5-3-13-10-16/h3-6,10-11,15H,7-9H2,1-2H3.
What are the key properties of N-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-2-amine?
N-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-2-amine has a molecular weight of 233.32 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62221278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).