1-(3-cyclopentyloxyphenyl)-3-[(3-cyclopropylimidazol-4-yl)methyl]urea

C19H24N4O2 — CID 72876543

IUPAC1-(3-cyclopentyloxyphenyl)-3-[(3-cyclopropylimidazol-4-yl)methyl]urea
SMILESO=C(NCc1cncn1C1CC1)Nc1cccc(OC2CCCC2)c1
InChIInChI=1S/C19H24N4O2/c24-19(21-12-16-11-20-13-23(16)15-8-9-15)22-14-4-3-7-18(10-14)25-17-5-1-2-6-17/h3-4,7,10-11,13,15,17H,1-2,5-6,8-9,12H2,(H2,21,22,24)
InChIKeyWUBKUVORILTHEQ-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.86
Rot. Bonds6

About 1-(3-cyclopentyloxyphenyl)-3-[(3-cyclopropylimidazol-4-yl)methyl]urea

1-(3-cyclopentyloxyphenyl)-3-[(3-cyclopropylimidazol-4-yl)methyl]urea (PubChem CID 72876543) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-(3-cyclopentyloxyphenyl)-3-[(3-cyclopropylimidazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-cyclopentyloxyphenyl)-3-[(3-cyclopropylimidazol-4-yl)methyl]urea
PubChem CID72876543
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-(3-cyclopentyloxyphenyl)-3-[(3-cyclopropylimidazol-4-yl)methyl]urea
SMILESO=C(NCc1cncn1C1CC1)Nc1cccc(OC2CCCC2)c1
InChIInChI=1S/C19H24N4O2/c24-19(21-12-16-11-20-13-23(16)15-8-9-15)22-14-4-3-7-18(10-14)25-17-5-1-2-6-17/h3-4,7,10-11,13,15,17H,1-2,5-6,8-9,12H2,(H2,21,22,24)
InChIKeyWUBKUVORILTHEQ-UHFFFAOYSA-N
XLogP3.86
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentyloxyphenyl)-3-[(3-cyclopropylimidazol-4-yl)methyl]urea?
The IUPAC name of 1-(3-cyclopentyloxyphenyl)-3-[(3-cyclopropylimidazol-4-yl)methyl]urea (CID 72876543) is 1-(3-cyclopentyloxyphenyl)-3-[(3-cyclopropylimidazol-4-yl)methyl]urea.
What is the SMILES notation for 1-(3-cyclopentyloxyphenyl)-3-[(3-cyclopropylimidazol-4-yl)methyl]urea?
The canonical SMILES for 1-(3-cyclopentyloxyphenyl)-3-[(3-cyclopropylimidazol-4-yl)methyl]urea is O=C(NCc1cncn1C1CC1)Nc1cccc(OC2CCCC2)c1.
What is the InChIKey of 1-(3-cyclopentyloxyphenyl)-3-[(3-cyclopropylimidazol-4-yl)methyl]urea?
The InChIKey is WUBKUVORILTHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-19(21-12-16-11-20-13-23(16)15-8-9-15)22-14-4-3-7-18(10-14)25-17-5-1-2-6-17/h3-4,7,10-11,13,15,17H,1-2,5-6,8-9,12H2,(H2,21,22,24).
What are the key properties of 1-(3-cyclopentyloxyphenyl)-3-[(3-cyclopropylimidazol-4-yl)methyl]urea?
1-(3-cyclopentyloxyphenyl)-3-[(3-cyclopropylimidazol-4-yl)methyl]urea has a molecular weight of 340.43 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentyloxyphenyl)-3-[(3-cyclopropylimidazol-4-yl)methyl]urea is sourced from PubChem (CID 72876543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).