1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]-N-methylmethanamine

C13H17N3O — CID 83894862

IUPAC1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(Cc2ccc(OC)cc2)cn1
InChIInChI=1S/C13H17N3O/c1-14-7-12-9-16(10-15-12)8-11-3-5-13(17-2)6-4-11/h3-6,9-10,14H,7-8H2,1-2H3
InChIKeyMPMCATNRJOUIGU-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.66
Rot. Bonds5

About 1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]-N-methylmethanamine

1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]-N-methylmethanamine (PubChem CID 83894862) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]-N-methylmethanamine
PubChem CID83894862
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(Cc2ccc(OC)cc2)cn1
InChIInChI=1S/C13H17N3O/c1-14-7-12-9-16(10-15-12)8-11-3-5-13(17-2)6-4-11/h3-6,9-10,14H,7-8H2,1-2H3
InChIKeyMPMCATNRJOUIGU-UHFFFAOYSA-N
XLogP1.66
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719431
N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 106719791
2-methoxy-N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106720459
1-[1-[(3-bromo-4-methoxyphenyl)methyl]imidazol-4-yl]-N-methylmethanamine
CID 106718473
1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721079
ethane;1-[(4-methoxyphenyl)methyl]-4-methylimidazole
CID 144619919
N-methyl-1-[1-[(3-methylphenyl)methyl]imidazol-4-yl]methanamine
CID 83886789
N-methyl-2-[1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanamine
CID 79985488
N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-yl]methanamine
CID 106718523
2-methoxy-4-[[4-[2-(methylamino)ethyl]imidazol-1-yl]methyl]benzonitrile
CID 106793406
methyl 2-[2-[[4-(methylaminomethyl)imidazol-1-yl]methyl]phenyl]acetate
CID 106718494
2-methoxy-N-[[1-[(3-methoxyphenyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106720570

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]-N-methylmethanamine (CID 83894862) is 1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]-N-methylmethanamine is CNCc1cn(Cc2ccc(OC)cc2)cn1.
What is the InChIKey of 1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]-N-methylmethanamine?
The InChIKey is MPMCATNRJOUIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-14-7-12-9-16(10-15-12)8-11-3-5-13(17-2)6-4-11/h3-6,9-10,14H,7-8H2,1-2H3.
What are the key properties of 1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]-N-methylmethanamine?
1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]-N-methylmethanamine has a molecular weight of 231.30 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 83894862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).