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

C11H17N5 — CID 66151369

IUPACN-methyl-1-[3-[2-(1-methylimidazol-2-yl)ethyl]imidazol-4-yl]methanamine
SMILESCNCc1cncn1CCc1nccn1C
InChIInChI=1S/C11H17N5/c1-12-7-10-8-13-9-16(10)5-3-11-14-4-6-15(11)2/h4,6,8-9,12H,3,5,7H2,1-2H3
InChIKeyVUCGYHGTXMNYAG-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.58
Rot. Bonds5

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

N-methyl-1-[3-[2-(1-methylimidazol-2-yl)ethyl]imidazol-4-yl]methanamine (PubChem CID 66151369) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is N-methyl-1-[3-[2-(1-methylimidazol-2-yl)ethyl]imidazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[2-(1-methylimidazol-2-yl)ethyl]imidazol-4-yl]methanamine
PubChem CID66151369
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC NameN-methyl-1-[3-[2-(1-methylimidazol-2-yl)ethyl]imidazol-4-yl]methanamine
SMILESCNCc1cncn1CCc1nccn1C
InChIInChI=1S/C11H17N5/c1-12-7-10-8-13-9-16(10)5-3-11-14-4-6-15(11)2/h4,6,8-9,12H,3,5,7H2,1-2H3
InChIKeyVUCGYHGTXMNYAG-UHFFFAOYSA-N
XLogP0.58
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 ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-[3-[2-(1-methylimidazol-2-yl)ethyl]imidazol-4-yl]ethanamine
CID 104942632
5-bromo-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one
CID 114530992
2-methyl-N-[[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 66149320
1-(3-methylimidazol-4-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 63237108
N-methyl-1-[1-[2-(1-methylimidazol-2-yl)ethyl]indol-5-yl]methanamine
CID 114532036
1-methyl-2-[2-(2-methylimidazol-1-yl)ethyl]imidazole
CID 114531881
N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 66162541
[1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-yl]methanamine
CID 114528906
N-methyl-4-(1-methylimidazol-2-yl)butan-1-amine
CID 79762044
1-methyl-2-[2-(5-pyrrolidin-3-ylimidazol-1-yl)ethyl]imidazole
CID 114719151
1-[3,5-diethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]-N-methylmethanamine
CID 114531654
N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-2-yl]methanamine
CID 66403106

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[2-(1-methylimidazol-2-yl)ethyl]imidazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[3-[2-(1-methylimidazol-2-yl)ethyl]imidazol-4-yl]methanamine (CID 66151369) is N-methyl-1-[3-[2-(1-methylimidazol-2-yl)ethyl]imidazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-[2-(1-methylimidazol-2-yl)ethyl]imidazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-[2-(1-methylimidazol-2-yl)ethyl]imidazol-4-yl]methanamine is CNCc1cncn1CCc1nccn1C.
What is the InChIKey of N-methyl-1-[3-[2-(1-methylimidazol-2-yl)ethyl]imidazol-4-yl]methanamine?
The InChIKey is VUCGYHGTXMNYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-12-7-10-8-13-9-16(10)5-3-11-14-4-6-15(11)2/h4,6,8-9,12H,3,5,7H2,1-2H3.
What are the key properties of N-methyl-1-[3-[2-(1-methylimidazol-2-yl)ethyl]imidazol-4-yl]methanamine?
N-methyl-1-[3-[2-(1-methylimidazol-2-yl)ethyl]imidazol-4-yl]methanamine has a molecular weight of 219.29 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[2-(1-methylimidazol-2-yl)ethyl]imidazol-4-yl]methanamine is sourced from PubChem (CID 66151369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).