2-imidazol-1-yl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine

C14H20N4O — CID 61463163

IUPAC2-imidazol-1-yl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine
SMILESCOc1c(C)cnc(CNCCn2ccnc2)c1C
InChIInChI=1S/C14H20N4O/c1-11-8-17-13(12(2)14(11)19-3)9-15-4-6-18-7-5-16-10-18/h5,7-8,10,15H,4,6,9H2,1-3H3
InChIKeyPBSMZRNJJVOKRH-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.69
Rot. Bonds6

About 2-imidazol-1-yl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine

2-imidazol-1-yl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine (PubChem CID 61463163) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine
PubChem CID61463163
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-imidazol-1-yl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine
SMILESCOc1c(C)cnc(CNCCn2ccnc2)c1C
InChIInChI=1S/C14H20N4O/c1-11-8-17-13(12(2)14(11)19-3)9-15-4-6-18-7-5-16-10-18/h5,7-8,10,15H,4,6,9H2,1-3H3
InChIKeyPBSMZRNJJVOKRH-UHFFFAOYSA-N
XLogP1.69
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-imidazol-1-yl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-imidazol-1-yl-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 114936698
3-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butan-1-amine
CID 65025177
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 28568814
4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]butanoic acid
CID 43473380
3-chloro-4-methoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butan-1-amine
CID 106242426
2-methoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propan-1-amine
CID 102698009
2-imidazol-1-yl-N-[(4-methoxynaphthalen-1-yl)methyl]ethanamine
CID 78975055
2-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 60657937
N-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-2-imidazol-1-ylethanamine
CID 35591627
2-imidazol-1-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 62999538
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-imidazol-1-ylethanamine
CID 104878423
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimidin-4-one
CID 115679486

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine?
The IUPAC name of 2-imidazol-1-yl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine (CID 61463163) is 2-imidazol-1-yl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 2-imidazol-1-yl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for 2-imidazol-1-yl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine is COc1c(C)cnc(CNCCn2ccnc2)c1C.
What is the InChIKey of 2-imidazol-1-yl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine?
The InChIKey is PBSMZRNJJVOKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-11-8-17-13(12(2)14(11)19-3)9-15-4-6-18-7-5-16-10-18/h5,7-8,10,15H,4,6,9H2,1-3H3.
What are the key properties of 2-imidazol-1-yl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine?
2-imidazol-1-yl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine has a molecular weight of 260.34 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 61463163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).