1-(2,3-dihydro-1H-inden-1-yl)-3-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]urea

C24H32N4O — CID 51117969

IUPAC1-(2,3-dihydro-1H-inden-1-yl)-3-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]urea
SMILESCCN1CCN(Cc2ccccc2CNC(=O)NC2CCc3ccccc32)CC1
InChIInChI=1S/C24H32N4O/c1-2-27-13-15-28(16-14-27)18-21-9-4-3-8-20(21)17-25-24(29)26-23-12-11-19-7-5-6-10-22(19)23/h3-10,23H,2,11-18H2,1H3,(H2,25,26,29)
InChIKeyMLQNCVCBASKNGO-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.31
Rot. Bonds6

About 1-(2,3-dihydro-1H-inden-1-yl)-3-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]urea

1-(2,3-dihydro-1H-inden-1-yl)-3-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]urea (PubChem CID 51117969) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-yl)-3-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-yl)-3-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]urea
PubChem CID51117969
Molecular FormulaC24H32N4O
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC Name1-(2,3-dihydro-1H-inden-1-yl)-3-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]urea
SMILESCCN1CCN(Cc2ccccc2CNC(=O)NC2CCc3ccccc32)CC1
InChIInChI=1S/C24H32N4O/c1-2-27-13-15-28(16-14-27)18-21-9-4-3-8-20(21)17-25-24(29)26-23-12-11-19-7-5-6-10-22(19)23/h3-10,23H,2,11-18H2,1H3,(H2,25,26,29)
InChIKeyMLQNCVCBASKNGO-UHFFFAOYSA-N
XLogP3.31
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dihydro-1H-inden-1-yl)-3-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]urea with MolForge

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Related Compounds

N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
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1-(2,3-dihydro-1H-inden-1-yl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
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CID 42928312
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CID 59355774
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CID 24983548
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1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea
CID 94021346
1-(2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936507
1-(2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111337898
1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-3-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]urea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-3-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]urea (CID 51117969) is 1-(2,3-dihydro-1H-inden-1-yl)-3-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]urea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-yl)-3-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]urea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-yl)-3-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]urea is CCN1CCN(Cc2ccccc2CNC(=O)NC2CCc3ccccc32)CC1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-yl)-3-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]urea?
The InChIKey is MLQNCVCBASKNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O/c1-2-27-13-15-28(16-14-27)18-21-9-4-3-8-20(21)17-25-24(29)26-23-12-11-19-7-5-6-10-22(19)23/h3-10,23H,2,11-18H2,1H3,(H2,25,26,29).
What are the key properties of 1-(2,3-dihydro-1H-inden-1-yl)-3-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]urea?
1-(2,3-dihydro-1H-inden-1-yl)-3-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]urea has a molecular weight of 392.55 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-1-yl)-3-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]urea is sourced from PubChem (CID 51117969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).