3-[(1-ethylcyclobutyl)methyl]-1-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]urea

C15H26N4O2 — CID 122569518

IUPAC3-[(1-ethylcyclobutyl)methyl]-1-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]urea
SMILESCCC1(CNC(=O)N(CCO)Cc2nccn2C)CCC1
InChIInChI=1S/C15H26N4O2/c1-3-15(5-4-6-15)12-17-14(21)19(9-10-20)11-13-16-7-8-18(13)2/h7-8,20H,3-6,9-12H2,1-2H3,(H,17,21)
InChIKeySUSPTCWPAKGEMS-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.50
Rot. Bonds7

About 3-[(1-ethylcyclobutyl)methyl]-1-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]urea

3-[(1-ethylcyclobutyl)methyl]-1-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]urea (PubChem CID 122569518) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-[(1-ethylcyclobutyl)methyl]-1-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]urea.

Molecular Properties

Compound Name3-[(1-ethylcyclobutyl)methyl]-1-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]urea
PubChem CID122569518
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name3-[(1-ethylcyclobutyl)methyl]-1-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]urea
SMILESCCC1(CNC(=O)N(CCO)Cc2nccn2C)CCC1
InChIInChI=1S/C15H26N4O2/c1-3-15(5-4-6-15)12-17-14(21)19(9-10-20)11-13-16-7-8-18(13)2/h7-8,20H,3-6,9-12H2,1-2H3,(H,17,21)
InChIKeySUSPTCWPAKGEMS-UHFFFAOYSA-N
XLogP1.50
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxyethyl)-3-[(2R)-2-(N-methylanilino)propyl]-1-[(1-methylimidazol-2-yl)methyl]urea
CID 125436502
(2R)-N-(2-hydroxyethyl)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide
CID 126444953
1,1-diethyl-3-[(1-ethylcyclobutyl)methyl]urea
CID 103741057
1-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]-3-[(1R)-1-(4-propan-2-ylphenyl)ethyl]urea
CID 126447567
N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-2-pyridin-4-ylsulfanylacetamide
CID 131926635
N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-4-(piperidin-1-ylmethyl)benzamide
CID 74234797
N-(2-hydroxyethyl)-6,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-5-oxothiomorpholine-3-carboxamide
CID 74243112
2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 81173284
1-ethyl-1-[(1-methylimidazol-2-yl)methyl]-3-(2-pyrrol-1-ylethyl)urea;formic acid
CID 154909219
N-[[1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentyl]methyl]propan-2-amine
CID 114531428
3-[[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-1-ethyl-1-[(1-methylimidazol-2-yl)methyl]urea
CID 126434909
N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide
CID 74239085

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylcyclobutyl)methyl]-1-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]urea?
The IUPAC name of 3-[(1-ethylcyclobutyl)methyl]-1-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]urea (CID 122569518) is 3-[(1-ethylcyclobutyl)methyl]-1-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]urea.
What is the SMILES notation for 3-[(1-ethylcyclobutyl)methyl]-1-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]urea?
The canonical SMILES for 3-[(1-ethylcyclobutyl)methyl]-1-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]urea is CCC1(CNC(=O)N(CCO)Cc2nccn2C)CCC1.
What is the InChIKey of 3-[(1-ethylcyclobutyl)methyl]-1-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]urea?
The InChIKey is SUSPTCWPAKGEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-3-15(5-4-6-15)12-17-14(21)19(9-10-20)11-13-16-7-8-18(13)2/h7-8,20H,3-6,9-12H2,1-2H3,(H,17,21).
What are the key properties of 3-[(1-ethylcyclobutyl)methyl]-1-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]urea?
3-[(1-ethylcyclobutyl)methyl]-1-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]urea has a molecular weight of 294.40 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylcyclobutyl)methyl]-1-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]urea is sourced from PubChem (CID 122569518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).