N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]imidazol-2-yl]methyl]ethanamine

C11H16ClN5 — CID 62222511

IUPACN-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]imidazol-2-yl]methyl]ethanamine
SMILESCCNCc1nccn1Cc1ncc(Cl)n1C
InChIInChI=1S/C11H16ClN5/c1-3-13-7-10-14-4-5-17(10)8-11-15-6-9(12)16(11)2/h4-6,13H,3,7-8H2,1-2H3
InChIKeyXNUSKGDNCKLTJK-UHFFFAOYSA-N
MW253.74 g/mol
LogP1.43
Rot. Bonds5

About N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]imidazol-2-yl]methyl]ethanamine

N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]imidazol-2-yl]methyl]ethanamine (PubChem CID 62222511) has the molecular formula C11H16ClN5 and a molecular weight of 253.74 g/mol. Its IUPAC name is N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]imidazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]imidazol-2-yl]methyl]ethanamine
PubChem CID62222511
Molecular FormulaC11H16ClN5
Molecular Weight253.74 g/mol
Exact Mass253.11
IUPAC NameN-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]imidazol-2-yl]methyl]ethanamine
SMILESCCNCc1nccn1Cc1ncc(Cl)n1C
InChIInChI=1S/C11H16ClN5/c1-3-13-7-10-14-4-5-17(10)8-11-15-6-9(12)16(11)2/h4-6,13H,3,7-8H2,1-2H3
InChIKeyXNUSKGDNCKLTJK-UHFFFAOYSA-N
XLogP1.43
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.74
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-benzylimidazol-2-yl)methyl]ethanamine;hydrochloride
CID 45156296
N-[[1-[(3-methylimidazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 66142150
N-[[1-[(3-chloro-2-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 102856727
N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]triazol-4-yl]methyl]ethanamine
CID 66193323
2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-ethylacetamide
CID 43401730
N-[[1-[(3-ethylimidazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 66153964
N-[[1-[(5-bromo-2-pyridinyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 113454806
4-[[2-(ethylaminomethyl)imidazol-1-yl]methyl]benzonitrile
CID 55048804
N-[(5-chloro-1-methylimidazol-2-yl)methyl]butan-1-amine
CID 43088016
N-[[1-[(2,3-difluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 62223730
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-ethylbutan-1-amine
CID 115756655
N-[[1-(2-propoxyethyl)imidazol-2-yl]methyl]ethanamine
CID 106455233

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]imidazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]imidazol-2-yl]methyl]ethanamine (CID 62222511) is N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]imidazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]imidazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]imidazol-2-yl]methyl]ethanamine is CCNCc1nccn1Cc1ncc(Cl)n1C.
What is the InChIKey of N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]imidazol-2-yl]methyl]ethanamine?
The InChIKey is XNUSKGDNCKLTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5/c1-3-13-7-10-14-4-5-17(10)8-11-15-6-9(12)16(11)2/h4-6,13H,3,7-8H2,1-2H3.
What are the key properties of N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]imidazol-2-yl]methyl]ethanamine?
N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]imidazol-2-yl]methyl]ethanamine has a molecular weight of 253.74 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]imidazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 62222511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).