1-[(3-methoxyphenyl)methyl]-3-(1-methyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indazol-7-yl)imidazolidin-2-one

C23H28N4O2 — CID 155490053

IUPAC1-[(3-methoxyphenyl)methyl]-3-(1-methyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indazol-7-yl)imidazolidin-2-one
SMILESCOc1cccc(CN2CCN(c3ccc4c(c3)CCC3NNC(C)C43)C2=O)c1
InChIInChI=1S/C23H28N4O2/c1-15-22-20-8-7-18(13-17(20)6-9-21(22)25-24-15)27-11-10-26(23(27)28)14-16-4-3-5-19(12-16)29-2/h3-5,7-8,12-13,15,21-22,24-25H,6,9-11,14H2,1-2H3
InChIKeyARPYAVPOXJABPJ-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.03
Rot. Bonds4

About 1-[(3-methoxyphenyl)methyl]-3-(1-methyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indazol-7-yl)imidazolidin-2-one

1-[(3-methoxyphenyl)methyl]-3-(1-methyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indazol-7-yl)imidazolidin-2-one (PubChem CID 155490053) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-3-(1-methyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indazol-7-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-3-(1-methyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indazol-7-yl)imidazolidin-2-one
PubChem CID155490053
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name1-[(3-methoxyphenyl)methyl]-3-(1-methyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indazol-7-yl)imidazolidin-2-one
SMILESCOc1cccc(CN2CCN(c3ccc4c(c3)CCC3NNC(C)C43)C2=O)c1
InChIInChI=1S/C23H28N4O2/c1-15-22-20-8-7-18(13-17(20)6-9-21(22)25-24-15)27-11-10-26(23(27)28)14-16-4-3-5-19(12-16)29-2/h3-5,7-8,12-13,15,21-22,24-25H,6,9-11,14H2,1-2H3
InChIKeyARPYAVPOXJABPJ-UHFFFAOYSA-N
XLogP3.03
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,5-dihydro-3H-benzo[e]indazol-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one
CID 134564531
1-(2,3,3a,4,5,9b-hexahydro-1H-pyrazolo[4,3-f]quinolin-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one
CID 155490045
1-[4-(3-fluoro-4-pyridinyl)phenyl]-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one
CID 140941584
1-[(3-methoxyphenyl)methyl]-3-[3-methyl-4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one
CID 122671609
1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one
CID 118238979
1-(2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indazol-7-yl)-3-[(1R)-1-(3-methoxyphenyl)ethyl]imidazolidin-2-one
CID 155490044
1-ethyl-3-[4-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]urea
CID 46156722
1-(2,3-dihydro-1H-inden-5-yl)-3-(pyridin-3-ylmethyl)imidazolidin-2-one
CID 4654076
1-(4-bromo-3-methoxyphenyl)-3-[(3-fluorophenyl)methyl]imidazolidin-2-one
CID 121479507
1-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-ethoxyphenyl]-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one
CID 144886983
N-[4-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide
CID 46156673
2-(4-fluorophenyl)-N-[3-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]acetamide
CID 46069971

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-3-(1-methyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indazol-7-yl)imidazolidin-2-one?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-3-(1-methyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indazol-7-yl)imidazolidin-2-one (CID 155490053) is 1-[(3-methoxyphenyl)methyl]-3-(1-methyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indazol-7-yl)imidazolidin-2-one.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-3-(1-methyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indazol-7-yl)imidazolidin-2-one?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-3-(1-methyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indazol-7-yl)imidazolidin-2-one is COc1cccc(CN2CCN(c3ccc4c(c3)CCC3NNC(C)C43)C2=O)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-3-(1-methyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indazol-7-yl)imidazolidin-2-one?
The InChIKey is ARPYAVPOXJABPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-15-22-20-8-7-18(13-17(20)6-9-21(22)25-24-15)27-11-10-26(23(27)28)14-16-4-3-5-19(12-16)29-2/h3-5,7-8,12-13,15,21-22,24-25H,6,9-11,14H2,1-2H3.
What are the key properties of 1-[(3-methoxyphenyl)methyl]-3-(1-methyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indazol-7-yl)imidazolidin-2-one?
1-[(3-methoxyphenyl)methyl]-3-(1-methyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indazol-7-yl)imidazolidin-2-one has a molecular weight of 392.50 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-3-(1-methyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indazol-7-yl)imidazolidin-2-one is sourced from PubChem (CID 155490053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).