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

C10H15N5 — CID 63237108

IUPAC1-(3-methylimidazol-4-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
SMILESCn1cncc1CNCc1nccn1C
InChIInChI=1S/C10H15N5/c1-14-4-3-13-10(14)7-11-5-9-6-12-8-15(9)2/h3-4,6,8,11H,5,7H2,1-2H3
InChIKeyWAWBTUACXMVEMB-UHFFFAOYSA-N
MW205.27 g/mol
LogP0.44
Rot. Bonds4

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

1-(3-methylimidazol-4-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine (PubChem CID 63237108) has the molecular formula C10H15N5 and a molecular weight of 205.27 g/mol. Its IUPAC name is 1-(3-methylimidazol-4-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-methylimidazol-4-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
PubChem CID63237108
Molecular FormulaC10H15N5
Molecular Weight205.27 g/mol
Exact Mass205.13
IUPAC Name1-(3-methylimidazol-4-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
SMILESCn1cncc1CNCc1nccn1C
InChIInChI=1S/C10H15N5/c1-14-4-3-13-10(14)7-11-5-9-6-12-8-15(9)2/h3-4,6,8,11H,5,7H2,1-2H3
InChIKeyWAWBTUACXMVEMB-UHFFFAOYSA-N
XLogP0.44
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.27
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methylimidazol-2-yl)methyl]-1-(3-methyltriazol-4-yl)methanamine
CID 115682578
N-[[1-[(3-methylimidazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 66142150
1-(3-methylimidazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 63001488
2-methyl-N-[[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 66149320
N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 66162541
N-methyl-1-[3-[2-(1-methylimidazol-2-yl)ethyl]imidazol-4-yl]methanamine
CID 66151369
N-[(3-methylimidazol-4-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine
CID 63002010
1-(1-methylimidazol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103738791
2-[(1-methylimidazol-2-yl)methylamino]ethanol;dihydrochloride
CID 47000713
2,2-difluoro-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 63296087
2-cyclopropyl-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 66118770
N-[(1-methylimidazol-2-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine
CID 62350133

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylimidazol-4-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(3-methylimidazol-4-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine (CID 63237108) is 1-(3-methylimidazol-4-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-methylimidazol-4-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(3-methylimidazol-4-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine is Cn1cncc1CNCc1nccn1C.
What is the InChIKey of 1-(3-methylimidazol-4-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The InChIKey is WAWBTUACXMVEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5/c1-14-4-3-13-10(14)7-11-5-9-6-12-8-15(9)2/h3-4,6,8,11H,5,7H2,1-2H3.
What are the key properties of 1-(3-methylimidazol-4-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine?
1-(3-methylimidazol-4-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine has a molecular weight of 205.27 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylimidazol-4-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine is sourced from PubChem (CID 63237108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).