azane;1-[4-(4H-imidazol-2-yl)-2-methoxyphenyl]-4-methylimidazole

C14H17N5O — CID 158028310

IUPACazane;1-[4-(4H-imidazol-2-yl)-2-methoxyphenyl]-4-methylimidazole
SMILESCOc1cc(C2=NCC=N2)ccc1-n1cnc(C)c1.N
InChIInChI=1S/C14H14N4O.H3N/c1-10-8-18(9-17-10)12-4-3-11(7-13(12)19-2)14-15-5-6-16-14;/h3-5,7-9H,6H2,1-2H3;1H3
InChIKeyMIWNLVAANWOHID-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.18
Rot. Bonds3

About azane;1-[4-(4H-imidazol-2-yl)-2-methoxyphenyl]-4-methylimidazole

azane;1-[4-(4H-imidazol-2-yl)-2-methoxyphenyl]-4-methylimidazole (PubChem CID 158028310) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is azane;1-[4-(4H-imidazol-2-yl)-2-methoxyphenyl]-4-methylimidazole.

Molecular Properties

Compound Nameazane;1-[4-(4H-imidazol-2-yl)-2-methoxyphenyl]-4-methylimidazole
PubChem CID158028310
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Nameazane;1-[4-(4H-imidazol-2-yl)-2-methoxyphenyl]-4-methylimidazole
SMILESCOc1cc(C2=NCC=N2)ccc1-n1cnc(C)c1.N
InChIInChI=1S/C14H14N4O.H3N/c1-10-8-18(9-17-10)12-4-3-11(7-13(12)19-2)14-15-5-6-16-14;/h3-5,7-9H,6H2,1-2H3;1H3
InChIKeyMIWNLVAANWOHID-UHFFFAOYSA-N
XLogP2.18
TPSA86.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5-dimethyl-1H-imidazole
CID 66857127
3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-methyl-1H-1,2,4-triazole
CID 67797926
ethane;3-methoxy-4-(4-methylimidazol-1-yl)aniline
CID 144841192
trifluoro-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]boranuide
CID 140582920
[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methanamine
CID 68592145
4,6-dichloro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3,5-triazin-2-amine
CID 87317448
3-methoxy-4-(4-methylimidazol-1-yl)benzenesulfonyl chloride
CID 59591064
4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]morpholine;hydrochloride
CID 42632845
1-(4-but-1-en-2-yl-2-methoxyphenyl)-4-methylimidazole
CID 91094143
2-[2-fluoro-3-methoxy-5-(trifluoromethyl)phenyl]-5-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-methyl-1,2,4-triazol-2-ium-3-amine
CID 90329423
4-(4-chlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 86624674
1-(4-fluorophenyl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-propan-2-yl-1,2,4-triazole
CID 67606398

Frequently Asked Questions

What is the IUPAC name of azane;1-[4-(4H-imidazol-2-yl)-2-methoxyphenyl]-4-methylimidazole?
The IUPAC name of azane;1-[4-(4H-imidazol-2-yl)-2-methoxyphenyl]-4-methylimidazole (CID 158028310) is azane;1-[4-(4H-imidazol-2-yl)-2-methoxyphenyl]-4-methylimidazole.
What is the SMILES notation for azane;1-[4-(4H-imidazol-2-yl)-2-methoxyphenyl]-4-methylimidazole?
The canonical SMILES for azane;1-[4-(4H-imidazol-2-yl)-2-methoxyphenyl]-4-methylimidazole is COc1cc(C2=NCC=N2)ccc1-n1cnc(C)c1.N.
What is the InChIKey of azane;1-[4-(4H-imidazol-2-yl)-2-methoxyphenyl]-4-methylimidazole?
The InChIKey is MIWNLVAANWOHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O.H3N/c1-10-8-18(9-17-10)12-4-3-11(7-13(12)19-2)14-15-5-6-16-14;/h3-5,7-9H,6H2,1-2H3;1H3.
What are the key properties of azane;1-[4-(4H-imidazol-2-yl)-2-methoxyphenyl]-4-methylimidazole?
azane;1-[4-(4H-imidazol-2-yl)-2-methoxyphenyl]-4-methylimidazole has a molecular weight of 271.32 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-[4-(4H-imidazol-2-yl)-2-methoxyphenyl]-4-methylimidazole is sourced from PubChem (CID 158028310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).