3-(cyclohexylamino)-2-(4-methoxyphenyl)-9-methyl-5H-imidazo[2,1-a]phthalazin-6-one

C24H26N4O2 — CID 71764026

IUPAC3-(cyclohexylamino)-2-(4-methoxyphenyl)-9-methyl-5H-imidazo[2,1-a]phthalazin-6-one
SMILESCOc1ccc(-c2nc3c4cc(C)ccc4c(=O)[nH]n3c2NC2CCCCC2)cc1
InChIInChI=1S/C24H26N4O2/c1-15-8-13-19-20(14-15)22-26-21(16-9-11-18(30-2)12-10-16)23(28(22)27-24(19)29)25-17-6-4-3-5-7-17/h8-14,17,25H,3-7H2,1-2H3,(H,27,29)
InChIKeyRVWWCADJQTWVBA-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.90
Rot. Bonds4

About 3-(cyclohexylamino)-2-(4-methoxyphenyl)-9-methyl-5H-imidazo[2,1-a]phthalazin-6-one

3-(cyclohexylamino)-2-(4-methoxyphenyl)-9-methyl-5H-imidazo[2,1-a]phthalazin-6-one (PubChem CID 71764026) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 3-(cyclohexylamino)-2-(4-methoxyphenyl)-9-methyl-5H-imidazo[2,1-a]phthalazin-6-one.

Molecular Properties

Compound Name3-(cyclohexylamino)-2-(4-methoxyphenyl)-9-methyl-5H-imidazo[2,1-a]phthalazin-6-one
PubChem CID71764026
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name3-(cyclohexylamino)-2-(4-methoxyphenyl)-9-methyl-5H-imidazo[2,1-a]phthalazin-6-one
SMILESCOc1ccc(-c2nc3c4cc(C)ccc4c(=O)[nH]n3c2NC2CCCCC2)cc1
InChIInChI=1S/C24H26N4O2/c1-15-8-13-19-20(14-15)22-26-21(16-9-11-18(30-2)12-10-16)23(28(22)27-24(19)29)25-17-6-4-3-5-7-17/h8-14,17,25H,3-7H2,1-2H3,(H,27,29)
InChIKeyRVWWCADJQTWVBA-UHFFFAOYSA-N
XLogP4.90
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylamino)-2-(4-methoxyphenyl)-9-methyl-5H-imidazo[2,1-a]phthalazin-6-one?
The IUPAC name of 3-(cyclohexylamino)-2-(4-methoxyphenyl)-9-methyl-5H-imidazo[2,1-a]phthalazin-6-one (CID 71764026) is 3-(cyclohexylamino)-2-(4-methoxyphenyl)-9-methyl-5H-imidazo[2,1-a]phthalazin-6-one.
What is the SMILES notation for 3-(cyclohexylamino)-2-(4-methoxyphenyl)-9-methyl-5H-imidazo[2,1-a]phthalazin-6-one?
The canonical SMILES for 3-(cyclohexylamino)-2-(4-methoxyphenyl)-9-methyl-5H-imidazo[2,1-a]phthalazin-6-one is COc1ccc(-c2nc3c4cc(C)ccc4c(=O)[nH]n3c2NC2CCCCC2)cc1.
What is the InChIKey of 3-(cyclohexylamino)-2-(4-methoxyphenyl)-9-methyl-5H-imidazo[2,1-a]phthalazin-6-one?
The InChIKey is RVWWCADJQTWVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-15-8-13-19-20(14-15)22-26-21(16-9-11-18(30-2)12-10-16)23(28(22)27-24(19)29)25-17-6-4-3-5-7-17/h8-14,17,25H,3-7H2,1-2H3,(H,27,29).
What are the key properties of 3-(cyclohexylamino)-2-(4-methoxyphenyl)-9-methyl-5H-imidazo[2,1-a]phthalazin-6-one?
3-(cyclohexylamino)-2-(4-methoxyphenyl)-9-methyl-5H-imidazo[2,1-a]phthalazin-6-one has a molecular weight of 402.50 g/mol, XLogP of 4.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylamino)-2-(4-methoxyphenyl)-9-methyl-5H-imidazo[2,1-a]phthalazin-6-one is sourced from PubChem (CID 71764026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).