N-[4-[[4-[(5-methyl-1,3-dioxan-5-yl)methoxy]phenyl]methyl]phenyl]-1H-imidazol-2-amine

C22H25N3O3 — CID 140994139

IUPACN-[4-[[4-[(5-methyl-1,3-dioxan-5-yl)methoxy]phenyl]methyl]phenyl]-1H-imidazol-2-amine
SMILESCC1(COc2ccc(Cc3ccc(Nc4ncc[nH]4)cc3)cc2)COCOC1
InChIInChI=1S/C22H25N3O3/c1-22(13-26-16-27-14-22)15-28-20-8-4-18(5-9-20)12-17-2-6-19(7-3-17)25-21-23-10-11-24-21/h2-11H,12-16H2,1H3,(H2,23,24,25)
InChIKeyIPPWDZGGTQFAOK-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.13
Rot. Bonds7

About N-[4-[[4-[(5-methyl-1,3-dioxan-5-yl)methoxy]phenyl]methyl]phenyl]-1H-imidazol-2-amine

N-[4-[[4-[(5-methyl-1,3-dioxan-5-yl)methoxy]phenyl]methyl]phenyl]-1H-imidazol-2-amine (PubChem CID 140994139) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[4-[[4-[(5-methyl-1,3-dioxan-5-yl)methoxy]phenyl]methyl]phenyl]-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[4-[[4-[(5-methyl-1,3-dioxan-5-yl)methoxy]phenyl]methyl]phenyl]-1H-imidazol-2-amine
PubChem CID140994139
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[4-[[4-[(5-methyl-1,3-dioxan-5-yl)methoxy]phenyl]methyl]phenyl]-1H-imidazol-2-amine
SMILESCC1(COc2ccc(Cc3ccc(Nc4ncc[nH]4)cc3)cc2)COCOC1
InChIInChI=1S/C22H25N3O3/c1-22(13-26-16-27-14-22)15-28-20-8-4-18(5-9-20)12-17-2-6-19(7-3-17)25-21-23-10-11-24-21/h2-11H,12-16H2,1H3,(H2,23,24,25)
InChIKeyIPPWDZGGTQFAOK-UHFFFAOYSA-N
XLogP4.13
TPSA68.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[[4-[(5-methyl-1,3-dioxan-5-yl)methoxy]phenyl]methyl]phenyl]-1H-imidazol-2-amine 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

N-[4-[[4-(1H-imidazol-2-ylamino)phenoxy]methoxy]phenyl]-1H-imidazol-2-amine;molecular hydrogen;dihydrochloride
CID 159383371
3-[[4-[1,1-bis[4-[(3-methyloxetan-3-yl)methoxy]phenyl]ethyl]phenoxy]methyl]-3-methyloxetane
CID 101196540
N-(4-fluorophenyl)-1H-imidazol-2-amine
CID 83695842
2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-2-ol
CID 84699476
N-(1H-imidazol-2-yl)-3-methyloxetane-3-carboxamide
CID 130734644
2-[3-bromo-4-[(3-methyloxetan-3-yl)methoxy]phenyl]-N-methylethanamine
CID 117499926
2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(1H-imidazol-2-yl)acetamide
CID 71708966
[4-[(2-methyloxiran-2-yl)methoxy]phenyl]methanol
CID 66334764
(2R,4R,6S)-2-[4-chloro-3-[[4-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]phenyl]-6-(hydroxymethyl)oxan-4-ol
CID 131968370
5-methyl-5-[(5-methyl-1,3-dioxan-5-yl)methoxymethyl]-1,3-dioxane
CID 130368124
N-(1-methylcyclobutyl)-1H-imidazol-2-amine
CID 106580380
N-(3-bromo-4-methoxyphenyl)-1H-imidazol-2-amine
CID 106573908

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[(5-methyl-1,3-dioxan-5-yl)methoxy]phenyl]methyl]phenyl]-1H-imidazol-2-amine?
The IUPAC name of N-[4-[[4-[(5-methyl-1,3-dioxan-5-yl)methoxy]phenyl]methyl]phenyl]-1H-imidazol-2-amine (CID 140994139) is N-[4-[[4-[(5-methyl-1,3-dioxan-5-yl)methoxy]phenyl]methyl]phenyl]-1H-imidazol-2-amine.
What is the SMILES notation for N-[4-[[4-[(5-methyl-1,3-dioxan-5-yl)methoxy]phenyl]methyl]phenyl]-1H-imidazol-2-amine?
The canonical SMILES for N-[4-[[4-[(5-methyl-1,3-dioxan-5-yl)methoxy]phenyl]methyl]phenyl]-1H-imidazol-2-amine is CC1(COc2ccc(Cc3ccc(Nc4ncc[nH]4)cc3)cc2)COCOC1.
What is the InChIKey of N-[4-[[4-[(5-methyl-1,3-dioxan-5-yl)methoxy]phenyl]methyl]phenyl]-1H-imidazol-2-amine?
The InChIKey is IPPWDZGGTQFAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-22(13-26-16-27-14-22)15-28-20-8-4-18(5-9-20)12-17-2-6-19(7-3-17)25-21-23-10-11-24-21/h2-11H,12-16H2,1H3,(H2,23,24,25).
What are the key properties of N-[4-[[4-[(5-methyl-1,3-dioxan-5-yl)methoxy]phenyl]methyl]phenyl]-1H-imidazol-2-amine?
N-[4-[[4-[(5-methyl-1,3-dioxan-5-yl)methoxy]phenyl]methyl]phenyl]-1H-imidazol-2-amine has a molecular weight of 379.46 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[(5-methyl-1,3-dioxan-5-yl)methoxy]phenyl]methyl]phenyl]-1H-imidazol-2-amine is sourced from PubChem (CID 140994139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).