1-(1,3-dihydro-2-benzofuran-5-ylmethyl)-3-(4-piperazin-1-ylcyclohexyl)urea

C20H30N4O2 — CID 166237773

IUPAC1-(1,3-dihydro-2-benzofuran-5-ylmethyl)-3-(4-piperazin-1-ylcyclohexyl)urea
SMILESO=C(NCc1ccc2c(c1)COC2)NC1CCC(N2CCNCC2)CC1
InChIInChI=1S/C20H30N4O2/c25-20(22-12-15-1-2-16-13-26-14-17(16)11-15)23-18-3-5-19(6-4-18)24-9-7-21-8-10-24/h1-2,11,18-19,21H,3-10,12-14H2,(H2,22,23,25)
InChIKeyVNHHONPEMBYYHV-UHFFFAOYSA-N
MW358.49 g/mol
LogP1.73
Rot. Bonds4

About 1-(1,3-dihydro-2-benzofuran-5-ylmethyl)-3-(4-piperazin-1-ylcyclohexyl)urea

1-(1,3-dihydro-2-benzofuran-5-ylmethyl)-3-(4-piperazin-1-ylcyclohexyl)urea (PubChem CID 166237773) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-ylmethyl)-3-(4-piperazin-1-ylcyclohexyl)urea.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-ylmethyl)-3-(4-piperazin-1-ylcyclohexyl)urea
PubChem CID166237773
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-ylmethyl)-3-(4-piperazin-1-ylcyclohexyl)urea
SMILESO=C(NCc1ccc2c(c1)COC2)NC1CCC(N2CCNCC2)CC1
InChIInChI=1S/C20H30N4O2/c25-20(22-12-15-1-2-16-13-26-14-17(16)11-15)23-18-3-5-19(6-4-18)24-9-7-21-8-10-24/h1-2,11,18-19,21H,3-10,12-14H2,(H2,22,23,25)
InChIKeyVNHHONPEMBYYHV-UHFFFAOYSA-N
XLogP1.73
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-ylmethyl)-3-(4-piperazin-1-ylcyclohexyl)urea?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-ylmethyl)-3-(4-piperazin-1-ylcyclohexyl)urea (CID 166237773) is 1-(1,3-dihydro-2-benzofuran-5-ylmethyl)-3-(4-piperazin-1-ylcyclohexyl)urea.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-ylmethyl)-3-(4-piperazin-1-ylcyclohexyl)urea?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-ylmethyl)-3-(4-piperazin-1-ylcyclohexyl)urea is O=C(NCc1ccc2c(c1)COC2)NC1CCC(N2CCNCC2)CC1.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-ylmethyl)-3-(4-piperazin-1-ylcyclohexyl)urea?
The InChIKey is VNHHONPEMBYYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c25-20(22-12-15-1-2-16-13-26-14-17(16)11-15)23-18-3-5-19(6-4-18)24-9-7-21-8-10-24/h1-2,11,18-19,21H,3-10,12-14H2,(H2,22,23,25).
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-ylmethyl)-3-(4-piperazin-1-ylcyclohexyl)urea?
1-(1,3-dihydro-2-benzofuran-5-ylmethyl)-3-(4-piperazin-1-ylcyclohexyl)urea has a molecular weight of 358.49 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-ylmethyl)-3-(4-piperazin-1-ylcyclohexyl)urea is sourced from PubChem (CID 166237773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).