1-cyclopentyl-3-[2-(dimethylamino)-6-[3-(4-phenylimidazol-1-yl)propoxy]phenyl]urea

C26H33N5O2 — CID 10456284

IUPAC1-cyclopentyl-3-[2-(dimethylamino)-6-[3-(4-phenylimidazol-1-yl)propoxy]phenyl]urea
SMILESCN(C)c1cccc(OCCCn2cnc(-c3ccccc3)c2)c1NC(=O)NC1CCCC1
InChIInChI=1S/C26H33N5O2/c1-30(2)23-14-8-15-24(25(23)29-26(32)28-21-12-6-7-13-21)33-17-9-16-31-18-22(27-19-31)20-10-4-3-5-11-20/h3-5,8,10-11,14-15,18-19,21H,6-7,9,12-13,16-17H2,1-2H3,(H2,28,29,32)
InChIKeyMSLBOGVJFFFZOS-UHFFFAOYSA-N
MW447.58 g/mol
LogP5.15
Rot. Bonds9

About 1-cyclopentyl-3-[2-(dimethylamino)-6-[3-(4-phenylimidazol-1-yl)propoxy]phenyl]urea

1-cyclopentyl-3-[2-(dimethylamino)-6-[3-(4-phenylimidazol-1-yl)propoxy]phenyl]urea (PubChem CID 10456284) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(dimethylamino)-6-[3-(4-phenylimidazol-1-yl)propoxy]phenyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(dimethylamino)-6-[3-(4-phenylimidazol-1-yl)propoxy]phenyl]urea
PubChem CID10456284
Molecular FormulaC26H33N5O2
Molecular Weight447.58 g/mol
Exact Mass447.26
IUPAC Name1-cyclopentyl-3-[2-(dimethylamino)-6-[3-(4-phenylimidazol-1-yl)propoxy]phenyl]urea
SMILESCN(C)c1cccc(OCCCn2cnc(-c3ccccc3)c2)c1NC(=O)NC1CCCC1
InChIInChI=1S/C26H33N5O2/c1-30(2)23-14-8-15-24(25(23)29-26(32)28-21-12-6-7-13-21)33-17-9-16-31-18-22(27-19-31)20-10-4-3-5-11-20/h3-5,8,10-11,14-15,18-19,21H,6-7,9,12-13,16-17H2,1-2H3,(H2,28,29,32)
InChIKeyMSLBOGVJFFFZOS-UHFFFAOYSA-N
XLogP5.15
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.58
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-(dimethylamino)-6-[3-(4-phenylimidazol-1-yl)propoxy]phenyl]urea?
The IUPAC name of 1-cyclopentyl-3-[2-(dimethylamino)-6-[3-(4-phenylimidazol-1-yl)propoxy]phenyl]urea (CID 10456284) is 1-cyclopentyl-3-[2-(dimethylamino)-6-[3-(4-phenylimidazol-1-yl)propoxy]phenyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[2-(dimethylamino)-6-[3-(4-phenylimidazol-1-yl)propoxy]phenyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[2-(dimethylamino)-6-[3-(4-phenylimidazol-1-yl)propoxy]phenyl]urea is CN(C)c1cccc(OCCCn2cnc(-c3ccccc3)c2)c1NC(=O)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[2-(dimethylamino)-6-[3-(4-phenylimidazol-1-yl)propoxy]phenyl]urea?
The InChIKey is MSLBOGVJFFFZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O2/c1-30(2)23-14-8-15-24(25(23)29-26(32)28-21-12-6-7-13-21)33-17-9-16-31-18-22(27-19-31)20-10-4-3-5-11-20/h3-5,8,10-11,14-15,18-19,21H,6-7,9,12-13,16-17H2,1-2H3,(H2,28,29,32).
What are the key properties of 1-cyclopentyl-3-[2-(dimethylamino)-6-[3-(4-phenylimidazol-1-yl)propoxy]phenyl]urea?
1-cyclopentyl-3-[2-(dimethylamino)-6-[3-(4-phenylimidazol-1-yl)propoxy]phenyl]urea has a molecular weight of 447.58 g/mol, XLogP of 5.15, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-(dimethylamino)-6-[3-(4-phenylimidazol-1-yl)propoxy]phenyl]urea is sourced from PubChem (CID 10456284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).