N-[[1-[(3-methylimidazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine

C11H17N5 — CID 66142150

IUPACN-[[1-[(3-methylimidazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine
SMILESCCNCc1nccn1Cc1cncn1C
InChIInChI=1S/C11H17N5/c1-3-12-7-11-14-4-5-16(11)8-10-6-13-9-15(10)2/h4-6,9,12H,3,7-8H2,1-2H3
InChIKeyUUQNLZPOJAPEMQ-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.77
Rot. Bonds5

About N-[[1-[(3-methylimidazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine

N-[[1-[(3-methylimidazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine (PubChem CID 66142150) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is N-[[1-[(3-methylimidazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(3-methylimidazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine
PubChem CID66142150
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC NameN-[[1-[(3-methylimidazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine
SMILESCCNCc1nccn1Cc1cncn1C
InChIInChI=1S/C11H17N5/c1-3-12-7-11-14-4-5-16(11)8-10-6-13-9-15(10)2/h4-6,9,12H,3,7-8H2,1-2H3
InChIKeyUUQNLZPOJAPEMQ-UHFFFAOYSA-N
XLogP0.77
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[(3-ethylimidazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 66153964
1-(3-methylimidazol-4-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 63237108
2-methoxy-N-[[1-[(3-propylimidazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 66400715
N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 62222511
N-[[1-[(3-methylimidazol-4-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
CID 66413174
N-[(1-benzylimidazol-2-yl)methyl]ethanamine;hydrochloride
CID 45156296
N-[[1-[(5-bromo-2-pyridinyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 113454806
N-[[1-[(2,3-difluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 62223730
N-[[1-(2-propoxyethyl)imidazol-2-yl]methyl]ethanamine
CID 106455233
N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-2-yl]methanamine
CID 66403106
N-[[1-[(3-chloro-2-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 102856727
N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 64784248

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-methylimidazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(3-methylimidazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine (CID 66142150) is N-[[1-[(3-methylimidazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(3-methylimidazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(3-methylimidazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine is CCNCc1nccn1Cc1cncn1C.
What is the InChIKey of N-[[1-[(3-methylimidazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine?
The InChIKey is UUQNLZPOJAPEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-3-12-7-11-14-4-5-16(11)8-10-6-13-9-15(10)2/h4-6,9,12H,3,7-8H2,1-2H3.
What are the key properties of N-[[1-[(3-methylimidazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine?
N-[[1-[(3-methylimidazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine has a molecular weight of 219.29 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-methylimidazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 66142150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).