4-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]-1,3-dimethyl-4,5,6,7-tetrahydroindazole

C21H26N4O2 — CID 165427260

IUPAC4-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]-1,3-dimethyl-4,5,6,7-tetrahydroindazole
SMILESCOc1cc(C)cc(-c2nccn2C2CCCc3c2c(C)nn3C)c1OC
InChIInChI=1S/C21H26N4O2/c1-13-11-15(20(27-5)18(12-13)26-4)21-22-9-10-25(21)17-8-6-7-16-19(17)14(2)23-24(16)3/h9-12,17H,6-8H2,1-5H3
InChIKeyGVRSTJBXSYNZMX-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.84
Rot. Bonds4

About 4-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]-1,3-dimethyl-4,5,6,7-tetrahydroindazole

4-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]-1,3-dimethyl-4,5,6,7-tetrahydroindazole (PubChem CID 165427260) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 4-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]-1,3-dimethyl-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name4-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]-1,3-dimethyl-4,5,6,7-tetrahydroindazole
PubChem CID165427260
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name4-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]-1,3-dimethyl-4,5,6,7-tetrahydroindazole
SMILESCOc1cc(C)cc(-c2nccn2C2CCCc3c2c(C)nn3C)c1OC
InChIInChI=1S/C21H26N4O2/c1-13-11-15(20(27-5)18(12-13)26-4)21-22-9-10-25(21)17-8-6-7-16-19(17)14(2)23-24(16)3/h9-12,17H,6-8H2,1-5H3
InChIKeyGVRSTJBXSYNZMX-UHFFFAOYSA-N
XLogP3.84
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one
CID 165422015
2-[2-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]ethyl]-1-methylsulfonylpiperidine
CID 165420343
2-(2,3-dimethoxy-5-methylphenyl)-1-(oxolan-2-ylmethyl)imidazole;formic acid
CID 171322062
3-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]-4-methyl-1,2,5-oxadiazole
CID 165424669
N,1,3-trimethyl-4,5,6,7-tetrahydroindazol-4-amine
CID 83861915
5-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 165420254
(8-methoxy-6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine
CID 84742499
3-[2-(2-chloro-3,4-dimethoxyphenyl)imidazol-1-yl]-1-ethylpiperidine
CID 146038437
(4S)-1,3-dimethyl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826258
4-[2-(2,3,4-trimethoxyphenyl)imidazol-1-yl]thiane 1,1-dioxide
CID 154567633
2-[2-(2,6-dimethoxy-4-methylphenoxy)ethyl]cyclopentan-1-one
CID 79564826
3-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]pyridin-2-amine;formic acid
CID 171712172

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]-1,3-dimethyl-4,5,6,7-tetrahydroindazole?
The IUPAC name of 4-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]-1,3-dimethyl-4,5,6,7-tetrahydroindazole (CID 165427260) is 4-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]-1,3-dimethyl-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 4-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]-1,3-dimethyl-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 4-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]-1,3-dimethyl-4,5,6,7-tetrahydroindazole is COc1cc(C)cc(-c2nccn2C2CCCc3c2c(C)nn3C)c1OC.
What is the InChIKey of 4-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]-1,3-dimethyl-4,5,6,7-tetrahydroindazole?
The InChIKey is GVRSTJBXSYNZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-13-11-15(20(27-5)18(12-13)26-4)21-22-9-10-25(21)17-8-6-7-16-19(17)14(2)23-24(16)3/h9-12,17H,6-8H2,1-5H3.
What are the key properties of 4-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]-1,3-dimethyl-4,5,6,7-tetrahydroindazole?
4-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]-1,3-dimethyl-4,5,6,7-tetrahydroindazole has a molecular weight of 366.47 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]-1,3-dimethyl-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 165427260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).