1-cyclopentyl-3-[2-[4-[(1-methylimidazol-2-yl)methyl]morpholin-2-yl]ethyl]urea

C17H29N5O2 — CID 56742077

IUPAC1-cyclopentyl-3-[2-[4-[(1-methylimidazol-2-yl)methyl]morpholin-2-yl]ethyl]urea
SMILESCn1ccnc1CN1CCOC(CCNC(=O)NC2CCCC2)C1
InChIInChI=1S/C17H29N5O2/c1-21-9-8-18-16(21)13-22-10-11-24-15(12-22)6-7-19-17(23)20-14-4-2-3-5-14/h8-9,14-15H,2-7,10-13H2,1H3,(H2,19,20,23)
InChIKeyPCWKEJWBOJXEFX-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.25
Rot. Bonds6

About 1-cyclopentyl-3-[2-[4-[(1-methylimidazol-2-yl)methyl]morpholin-2-yl]ethyl]urea

1-cyclopentyl-3-[2-[4-[(1-methylimidazol-2-yl)methyl]morpholin-2-yl]ethyl]urea (PubChem CID 56742077) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-[4-[(1-methylimidazol-2-yl)methyl]morpholin-2-yl]ethyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-[4-[(1-methylimidazol-2-yl)methyl]morpholin-2-yl]ethyl]urea
PubChem CID56742077
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name1-cyclopentyl-3-[2-[4-[(1-methylimidazol-2-yl)methyl]morpholin-2-yl]ethyl]urea
SMILESCn1ccnc1CN1CCOC(CCNC(=O)NC2CCCC2)C1
InChIInChI=1S/C17H29N5O2/c1-21-9-8-18-16(21)13-22-10-11-24-15(12-22)6-7-19-17(23)20-14-4-2-3-5-14/h8-9,14-15H,2-7,10-13H2,1H3,(H2,19,20,23)
InChIKeyPCWKEJWBOJXEFX-UHFFFAOYSA-N
XLogP1.25
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-[4-[(1-methylimidazol-2-yl)methyl]morpholin-2-yl]ethyl]urea?
The IUPAC name of 1-cyclopentyl-3-[2-[4-[(1-methylimidazol-2-yl)methyl]morpholin-2-yl]ethyl]urea (CID 56742077) is 1-cyclopentyl-3-[2-[4-[(1-methylimidazol-2-yl)methyl]morpholin-2-yl]ethyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[2-[4-[(1-methylimidazol-2-yl)methyl]morpholin-2-yl]ethyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[2-[4-[(1-methylimidazol-2-yl)methyl]morpholin-2-yl]ethyl]urea is Cn1ccnc1CN1CCOC(CCNC(=O)NC2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-3-[2-[4-[(1-methylimidazol-2-yl)methyl]morpholin-2-yl]ethyl]urea?
The InChIKey is PCWKEJWBOJXEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-21-9-8-18-16(21)13-22-10-11-24-15(12-22)6-7-19-17(23)20-14-4-2-3-5-14/h8-9,14-15H,2-7,10-13H2,1H3,(H2,19,20,23).
What are the key properties of 1-cyclopentyl-3-[2-[4-[(1-methylimidazol-2-yl)methyl]morpholin-2-yl]ethyl]urea?
1-cyclopentyl-3-[2-[4-[(1-methylimidazol-2-yl)methyl]morpholin-2-yl]ethyl]urea has a molecular weight of 335.45 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-[4-[(1-methylimidazol-2-yl)methyl]morpholin-2-yl]ethyl]urea is sourced from PubChem (CID 56742077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).