1-[4-[4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]butyl]-1-(1H-indol-2-yl)urea

C25H31N5O2 — CID 11611787

IUPAC1-[4-[4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]butyl]-1-(1H-indol-2-yl)urea
SMILESNC(=O)N(CCCCN1CCN(c2cccc3c2OCC3)CC1)c1cc2ccccc2[nH]1
InChIInChI=1S/C25H31N5O2/c26-25(31)30(23-18-20-6-1-2-8-21(20)27-23)12-4-3-11-28-13-15-29(16-14-28)22-9-5-7-19-10-17-32-24(19)22/h1-2,5-9,18,27H,3-4,10-17H2,(H2,26,31)
InChIKeyMUVCPNWSVFHGEE-UHFFFAOYSA-N
MW433.56 g/mol
LogP3.59
Rot. Bonds7

About 1-[4-[4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]butyl]-1-(1H-indol-2-yl)urea

1-[4-[4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]butyl]-1-(1H-indol-2-yl)urea (PubChem CID 11611787) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 1-[4-[4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]butyl]-1-(1H-indol-2-yl)urea.

Molecular Properties

Compound Name1-[4-[4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]butyl]-1-(1H-indol-2-yl)urea
PubChem CID11611787
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name1-[4-[4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]butyl]-1-(1H-indol-2-yl)urea
SMILESNC(=O)N(CCCCN1CCN(c2cccc3c2OCC3)CC1)c1cc2ccccc2[nH]1
InChIInChI=1S/C25H31N5O2/c26-25(31)30(23-18-20-6-1-2-8-21(20)27-23)12-4-3-11-28-13-15-29(16-14-28)22-9-5-7-19-10-17-32-24(19)22/h1-2,5-9,18,27H,3-4,10-17H2,(H2,26,31)
InChIKeyMUVCPNWSVFHGEE-UHFFFAOYSA-N
XLogP3.59
TPSA77.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1-benzofuran-2-yl)-1-[4-[4-(3,4-dihydro-2H-chromen-8-yl)-1,4-diazepan-1-yl]butyl]urea
CID 11576271
1-(1-benzothiophen-2-yl)-1-[4-[4-(3,4-dihydro-2H-chromen-8-yl)-1,4-diazepan-1-yl]butyl]urea
CID 11662973
1-(3-chloro-1-benzothiophen-2-yl)-1-[4-[4-(2,3-dihydro-1-benzofuran-7-yl)-1,4-diazepan-1-yl]butyl]urea
CID 11713042
1-(5-bromo-1-benzofuran-2-yl)-1-[4-[4-(3,4-dihydro-2H-chromen-8-yl)piperazin-1-yl]butyl]urea
CID 11663681
1-(3-chloro-1-benzothiophen-2-yl)-1-[4-[4-(2,3,4,5-tetrahydro-1-benzoxepin-9-yl)piperazin-1-yl]butyl]urea
CID 11519138
1-butyl-4-(2,3-dihydro-1-benzofuran-7-yl)piperazine
CID 173092297
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
[2-[4-[4-(3,4-dihydro-2H-chromen-8-yl)piperazin-1-yl]butyl]-1-benzofuran-3-yl]urea
CID 69253173
1-(benzenesulfonyl)-1-[4-[4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]butyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)urea
CID 69453145
7-[4-[4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,6-naphthyridin-2-one
CID 21073559
[6-cyano-1-[4-[4-(3,4-dihydro-2H-chromen-8-yl)piperazin-1-yl]butyl]indol-2-yl]urea
CID 69253228

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]butyl]-1-(1H-indol-2-yl)urea?
The IUPAC name of 1-[4-[4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]butyl]-1-(1H-indol-2-yl)urea (CID 11611787) is 1-[4-[4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]butyl]-1-(1H-indol-2-yl)urea.
What is the SMILES notation for 1-[4-[4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]butyl]-1-(1H-indol-2-yl)urea?
The canonical SMILES for 1-[4-[4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]butyl]-1-(1H-indol-2-yl)urea is NC(=O)N(CCCCN1CCN(c2cccc3c2OCC3)CC1)c1cc2ccccc2[nH]1.
What is the InChIKey of 1-[4-[4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]butyl]-1-(1H-indol-2-yl)urea?
The InChIKey is MUVCPNWSVFHGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c26-25(31)30(23-18-20-6-1-2-8-21(20)27-23)12-4-3-11-28-13-15-29(16-14-28)22-9-5-7-19-10-17-32-24(19)22/h1-2,5-9,18,27H,3-4,10-17H2,(H2,26,31).
What are the key properties of 1-[4-[4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]butyl]-1-(1H-indol-2-yl)urea?
1-[4-[4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]butyl]-1-(1H-indol-2-yl)urea has a molecular weight of 433.56 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]butyl]-1-(1H-indol-2-yl)urea is sourced from PubChem (CID 11611787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).