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

C22H22N4O2 — CID 134564531

IUPAC1-(4,5-dihydro-3H-benzo[e]indazol-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one
SMILESCOc1cccc(CN2CCN(c3ccc4c(c3)CCc3[nH]ncc3-4)C2=O)c1
InChIInChI=1S/C22H22N4O2/c1-28-18-4-2-3-15(11-18)14-25-9-10-26(22(25)27)17-6-7-19-16(12-17)5-8-21-20(19)13-23-24-21/h2-4,6-7,11-13H,5,8-10,14H2,1H3,(H,23,24)
InChIKeyRVWQJPOZGRDNEI-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.63
Rot. Bonds4

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

1-(4,5-dihydro-3H-benzo[e]indazol-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one (PubChem CID 134564531) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 1-(4,5-dihydro-3H-benzo[e]indazol-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(4,5-dihydro-3H-benzo[e]indazol-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one
PubChem CID134564531
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name1-(4,5-dihydro-3H-benzo[e]indazol-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one
SMILESCOc1cccc(CN2CCN(c3ccc4c(c3)CCc3[nH]ncc3-4)C2=O)c1
InChIInChI=1S/C22H22N4O2/c1-28-18-4-2-3-15(11-18)14-25-9-10-26(22(25)27)17-6-7-19-16(12-17)5-8-21-20(19)13-23-24-21/h2-4,6-7,11-13H,5,8-10,14H2,1H3,(H,23,24)
InChIKeyRVWQJPOZGRDNEI-UHFFFAOYSA-N
XLogP3.63
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,5-dihydro-3H-pyrazolo[4,5-f]quinolin-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one
CID 139463206
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-[(3-methoxyphenyl)methyl]-3-(1-methyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indazol-7-yl)imidazolidin-2-one
CID 155490053
1-[4-(3-fluoro-4-pyridinyl)phenyl]-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one
CID 140941584
1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(8-oxa-4,5,10-triazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaen-11-yl)imidazolidin-2-one
CID 139463215
1-[(2-methoxyphenyl)methyl]-3-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one;1-[(3-methoxyphenyl)methyl]-3-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one;1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methylphenyl)methyl]imidazolidin-2-one
CID 118239058
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
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

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-3H-benzo[e]indazol-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one?
The IUPAC name of 1-(4,5-dihydro-3H-benzo[e]indazol-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one (CID 134564531) is 1-(4,5-dihydro-3H-benzo[e]indazol-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one.
What is the SMILES notation for 1-(4,5-dihydro-3H-benzo[e]indazol-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one?
The canonical SMILES for 1-(4,5-dihydro-3H-benzo[e]indazol-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one is COc1cccc(CN2CCN(c3ccc4c(c3)CCc3[nH]ncc3-4)C2=O)c1.
What is the InChIKey of 1-(4,5-dihydro-3H-benzo[e]indazol-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one?
The InChIKey is RVWQJPOZGRDNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-28-18-4-2-3-15(11-18)14-25-9-10-26(22(25)27)17-6-7-19-16(12-17)5-8-21-20(19)13-23-24-21/h2-4,6-7,11-13H,5,8-10,14H2,1H3,(H,23,24).
What are the key properties of 1-(4,5-dihydro-3H-benzo[e]indazol-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one?
1-(4,5-dihydro-3H-benzo[e]indazol-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one has a molecular weight of 374.44 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-3H-benzo[e]indazol-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one is sourced from PubChem (CID 134564531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).