[3-[4-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]butyl]-1-benzofuran-2-yl]urea

C25H30N4O3 — CID 69252998

IUPAC[3-[4-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]butyl]-1-benzofuran-2-yl]urea
SMILESNC(=O)Nc1oc2ccccc2c1CCCCN1CCN(c2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C25H30N4O3/c26-25(30)27-24-21(20-5-1-2-7-23(20)32-24)6-3-4-11-28-12-14-29(15-13-28)19-8-9-22-18(17-19)10-16-31-22/h1-2,5,7-9,17H,3-4,6,10-16H2,(H3,26,27,30)
InChIKeyXBKHSVSNLVKTDZ-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.00
Rot. Bonds7

About [3-[4-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]butyl]-1-benzofuran-2-yl]urea

[3-[4-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]butyl]-1-benzofuran-2-yl]urea (PubChem CID 69252998) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is [3-[4-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]butyl]-1-benzofuran-2-yl]urea.

Molecular Properties

Compound Name[3-[4-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]butyl]-1-benzofuran-2-yl]urea
PubChem CID69252998
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name[3-[4-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]butyl]-1-benzofuran-2-yl]urea
SMILESNC(=O)Nc1oc2ccccc2c1CCCCN1CCN(c2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C25H30N4O3/c26-25(30)27-24-21(20-5-1-2-7-23(20)32-24)6-3-4-11-28-12-14-29(15-13-28)19-8-9-22-18(17-19)10-16-31-22/h1-2,5,7-9,17H,3-4,6,10-16H2,(H3,26,27,30)
InChIKeyXBKHSVSNLVKTDZ-UHFFFAOYSA-N
XLogP4.00
TPSA83.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [3-[4-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]butyl]-1-benzofuran-2-yl]urea with MolForge

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Launch Full Analysis

Related Compounds

1-(5-bromo-1-benzofuran-2-yl)-1-[4-[4-(2,3,4,5-tetrahydro-1-benzoxepin-9-yl)-1,4-diazepan-1-yl]butyl]urea;[3-[4-[4-(2,3,4,5-tetrahydro-1-benzoxepin-9-yl)-1,4-diazepan-1-yl]butyl]-1-benzofuran-2-yl]urea
CID 87779413
1-(1-benzothiophen-2-yl)-1-[4-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]butyl]urea
CID 11496124
3-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]propan-1-amine
CID 98019621
[1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]butyl]indol-2-yl]urea
CID 69252666
[2-[4-[4-(3,4-dihydro-2H-chromen-8-yl)piperazin-1-yl]butyl]-1-benzofuran-3-yl]urea
CID 69253173
5-[4-[4-(2-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;hydrochloride
CID 69317675
1-[4-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]butyl]indole-6-carbonitrile
CID 141136986
1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]ethanone
CID 163350132
1-(1-benzothiophen-3-yl)-1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-diazepan-1-yl]butyl]urea
CID 69252388
1-(1-benzothiophen-3-yl)-1-[4-[4-(3,4-dihydro-2H-chromen-7-yl)piperazin-1-yl]butyl]urea
CID 11677041
2-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]-N-(2-oxo-3H-1-benzofuran-6-yl)acetamide
CID 58467685
1-(3,4-dihydro-2H-chromen-6-yl)-4-[(4-methylphenyl)methyl]piperazine;oxalic acid
CID 18399632

Frequently Asked Questions

What is the IUPAC name of [3-[4-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]butyl]-1-benzofuran-2-yl]urea?
The IUPAC name of [3-[4-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]butyl]-1-benzofuran-2-yl]urea (CID 69252998) is [3-[4-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]butyl]-1-benzofuran-2-yl]urea.
What is the SMILES notation for [3-[4-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]butyl]-1-benzofuran-2-yl]urea?
The canonical SMILES for [3-[4-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]butyl]-1-benzofuran-2-yl]urea is NC(=O)Nc1oc2ccccc2c1CCCCN1CCN(c2ccc3c(c2)CCO3)CC1.
What is the InChIKey of [3-[4-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]butyl]-1-benzofuran-2-yl]urea?
The InChIKey is XBKHSVSNLVKTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c26-25(30)27-24-21(20-5-1-2-7-23(20)32-24)6-3-4-11-28-12-14-29(15-13-28)19-8-9-22-18(17-19)10-16-31-22/h1-2,5,7-9,17H,3-4,6,10-16H2,(H3,26,27,30).
What are the key properties of [3-[4-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]butyl]-1-benzofuran-2-yl]urea?
[3-[4-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]butyl]-1-benzofuran-2-yl]urea has a molecular weight of 434.54 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]butyl]-1-benzofuran-2-yl]urea is sourced from PubChem (CID 69252998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).