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

C14H18N4O2 — CID 63295753

IUPAC1-[3-(1-hydroxyethyl)phenyl]-3-[(1-methylimidazol-2-yl)methyl]urea
SMILESCC(O)c1cccc(NC(=O)NCc2nccn2C)c1
InChIInChI=1S/C14H18N4O2/c1-10(19)11-4-3-5-12(8-11)17-14(20)16-9-13-15-6-7-18(13)2/h3-8,10,19H,9H2,1-2H3,(H2,16,17,20)
InChIKeyPFAIIQCRRJETQG-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.80
Rot. Bonds4

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

1-[3-(1-hydroxyethyl)phenyl]-3-[(1-methylimidazol-2-yl)methyl]urea (PubChem CID 63295753) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[3-(1-hydroxyethyl)phenyl]-3-[(1-methylimidazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[3-(1-hydroxyethyl)phenyl]-3-[(1-methylimidazol-2-yl)methyl]urea
PubChem CID63295753
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1-[3-(1-hydroxyethyl)phenyl]-3-[(1-methylimidazol-2-yl)methyl]urea
SMILESCC(O)c1cccc(NC(=O)NCc2nccn2C)c1
InChIInChI=1S/C14H18N4O2/c1-10(19)11-4-3-5-12(8-11)17-14(20)16-9-13-15-6-7-18(13)2/h3-8,10,19H,9H2,1-2H3,(H2,16,17,20)
InChIKeyPFAIIQCRRJETQG-UHFFFAOYSA-N
XLogP1.80
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[1-(methylamino)ethyl]phenyl]-3-[(1-methylimidazol-2-yl)methyl]urea
CID 63295845
1-[3-(1-hydroxyethyl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 61346080
1-[3-(1-hydroxyethyl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 61346078
1-(4-chlorophenyl)-3-[(1-methylimidazol-2-yl)methyl]urea
CID 110446812
2-methyl-4-[(1-methylimidazol-2-yl)methylcarbamoylamino]benzoic acid
CID 63294408
1-[3-(1-hydroxyethyl)phenyl]-3-[(5-methylpyrazin-2-yl)methyl]urea
CID 62841564
2-chloro-5-[(1-methylimidazol-2-yl)methylcarbamoylamino]benzoic acid
CID 63294627
N-[3-[(1-methylimidazol-2-yl)methylamino]phenyl]propanamide
CID 62357401
2-[4-[(1-methylimidazol-2-yl)methylcarbamoylamino]phenyl]acetic acid
CID 63293690
1-[3-(1-hydroxyethyl)phenyl]-3-(2-propan-2-yloxyethyl)urea
CID 104765102
1-[3-(1-hydroxyethyl)phenyl]-3-(thiophen-3-ylmethyl)urea
CID 55173709
1-[3-[1-(methylamino)ethyl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 62103619

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-hydroxyethyl)phenyl]-3-[(1-methylimidazol-2-yl)methyl]urea?
The IUPAC name of 1-[3-(1-hydroxyethyl)phenyl]-3-[(1-methylimidazol-2-yl)methyl]urea (CID 63295753) is 1-[3-(1-hydroxyethyl)phenyl]-3-[(1-methylimidazol-2-yl)methyl]urea.
What is the SMILES notation for 1-[3-(1-hydroxyethyl)phenyl]-3-[(1-methylimidazol-2-yl)methyl]urea?
The canonical SMILES for 1-[3-(1-hydroxyethyl)phenyl]-3-[(1-methylimidazol-2-yl)methyl]urea is CC(O)c1cccc(NC(=O)NCc2nccn2C)c1.
What is the InChIKey of 1-[3-(1-hydroxyethyl)phenyl]-3-[(1-methylimidazol-2-yl)methyl]urea?
The InChIKey is PFAIIQCRRJETQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10(19)11-4-3-5-12(8-11)17-14(20)16-9-13-15-6-7-18(13)2/h3-8,10,19H,9H2,1-2H3,(H2,16,17,20).
What are the key properties of 1-[3-(1-hydroxyethyl)phenyl]-3-[(1-methylimidazol-2-yl)methyl]urea?
1-[3-(1-hydroxyethyl)phenyl]-3-[(1-methylimidazol-2-yl)methyl]urea has a molecular weight of 274.32 g/mol, XLogP of 1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-hydroxyethyl)phenyl]-3-[(1-methylimidazol-2-yl)methyl]urea is sourced from PubChem (CID 63295753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).