1,3-dimethyl-4-[3-[3-(2-methylphenoxy)propyl]imidazol-4-yl]pyrazole

C18H22N4O — CID 46980437

IUPAC1,3-dimethyl-4-[3-[3-(2-methylphenoxy)propyl]imidazol-4-yl]pyrazole
SMILESCc1ccccc1OCCCn1cncc1-c1cn(C)nc1C
InChIInChI=1S/C18H22N4O/c1-14-7-4-5-8-18(14)23-10-6-9-22-13-19-11-17(22)16-12-21(3)20-15(16)2/h4-5,7-8,11-13H,6,9-10H2,1-3H3
InChIKeySDHHTZXANZIFGH-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.37
Rot. Bonds6

About 1,3-dimethyl-4-[3-[3-(2-methylphenoxy)propyl]imidazol-4-yl]pyrazole

1,3-dimethyl-4-[3-[3-(2-methylphenoxy)propyl]imidazol-4-yl]pyrazole (PubChem CID 46980437) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1,3-dimethyl-4-[3-[3-(2-methylphenoxy)propyl]imidazol-4-yl]pyrazole.

Molecular Properties

Compound Name1,3-dimethyl-4-[3-[3-(2-methylphenoxy)propyl]imidazol-4-yl]pyrazole
PubChem CID46980437
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name1,3-dimethyl-4-[3-[3-(2-methylphenoxy)propyl]imidazol-4-yl]pyrazole
SMILESCc1ccccc1OCCCn1cncc1-c1cn(C)nc1C
InChIInChI=1S/C18H22N4O/c1-14-7-4-5-8-18(14)23-10-6-9-22-13-19-11-17(22)16-12-21(3)20-15(16)2/h4-5,7-8,11-13H,6,9-10H2,1-3H3
InChIKeySDHHTZXANZIFGH-UHFFFAOYSA-N
XLogP3.37
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethyl-4-[3-[3-(3-methylphenoxy)propyl]imidazol-4-yl]pyrazole;hydrochloride
CID 171667724
1,3-dimethyl-4-[3-[(3-propan-2-yloxyphenyl)methyl]imidazol-4-yl]pyrazole
CID 46980468
1-[3-(2-methylphenoxy)propyl]pyrrole-2,5-dione
CID 94688559
3-(1,3-dimethylpyrazol-4-yl)-4-methoxypyridine
CID 166436066
5,6-dimethyl-1-[2-(2-methylphenoxy)ethyl]benzimidazole
CID 962401
1-[3-(2-methylphenoxy)propyl]benzotriazole
CID 3161273
ethane;1-methyl-2-pentoxybenzene
CID 143283195
1-methyl-2-pentadecoxybenzene
CID 154641785
4-(2-methylphenoxy)butane-1-thiol
CID 2063623
4-[3-[2-(2,4-dimethylphenoxy)ethyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole
CID 46980596
1-butyl-5-[2-(3,7-dimethylocta-2,6-dienoxy)phenyl]imidazole
CID 67055783
[1-[3-(2-methylphenoxy)propyl]indol-3-yl]-phenylmethanone
CID 4524878

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-[3-[3-(2-methylphenoxy)propyl]imidazol-4-yl]pyrazole?
The IUPAC name of 1,3-dimethyl-4-[3-[3-(2-methylphenoxy)propyl]imidazol-4-yl]pyrazole (CID 46980437) is 1,3-dimethyl-4-[3-[3-(2-methylphenoxy)propyl]imidazol-4-yl]pyrazole.
What is the SMILES notation for 1,3-dimethyl-4-[3-[3-(2-methylphenoxy)propyl]imidazol-4-yl]pyrazole?
The canonical SMILES for 1,3-dimethyl-4-[3-[3-(2-methylphenoxy)propyl]imidazol-4-yl]pyrazole is Cc1ccccc1OCCCn1cncc1-c1cn(C)nc1C.
What is the InChIKey of 1,3-dimethyl-4-[3-[3-(2-methylphenoxy)propyl]imidazol-4-yl]pyrazole?
The InChIKey is SDHHTZXANZIFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-14-7-4-5-8-18(14)23-10-6-9-22-13-19-11-17(22)16-12-21(3)20-15(16)2/h4-5,7-8,11-13H,6,9-10H2,1-3H3.
What are the key properties of 1,3-dimethyl-4-[3-[3-(2-methylphenoxy)propyl]imidazol-4-yl]pyrazole?
1,3-dimethyl-4-[3-[3-(2-methylphenoxy)propyl]imidazol-4-yl]pyrazole has a molecular weight of 310.40 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-[3-[3-(2-methylphenoxy)propyl]imidazol-4-yl]pyrazole is sourced from PubChem (CID 46980437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).