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

C15H21N5O — CID 63295845

IUPAC1-[3-[1-(methylamino)ethyl]phenyl]-3-[(1-methylimidazol-2-yl)methyl]urea
SMILESCNC(C)c1cccc(NC(=O)NCc2nccn2C)c1
InChIInChI=1S/C15H21N5O/c1-11(16-2)12-5-4-6-13(9-12)19-15(21)18-10-14-17-7-8-20(14)3/h4-9,11,16H,10H2,1-3H3,(H2,18,19,21)
InChIKeyPUZACHWYPDWLHJ-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.02
Rot. Bonds5

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

1-[3-[1-(methylamino)ethyl]phenyl]-3-[(1-methylimidazol-2-yl)methyl]urea (PubChem CID 63295845) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-[3-[1-(methylamino)ethyl]phenyl]-3-[(1-methylimidazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[3-[1-(methylamino)ethyl]phenyl]-3-[(1-methylimidazol-2-yl)methyl]urea
PubChem CID63295845
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name1-[3-[1-(methylamino)ethyl]phenyl]-3-[(1-methylimidazol-2-yl)methyl]urea
SMILESCNC(C)c1cccc(NC(=O)NCc2nccn2C)c1
InChIInChI=1S/C15H21N5O/c1-11(16-2)12-5-4-6-13(9-12)19-15(21)18-10-14-17-7-8-20(14)3/h4-9,11,16H,10H2,1-3H3,(H2,18,19,21)
InChIKeyPUZACHWYPDWLHJ-UHFFFAOYSA-N
XLogP2.02
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(1-hydroxyethyl)phenyl]-3-[(1-methylimidazol-2-yl)methyl]urea
CID 63295753
1-[3-[1-(methylamino)ethyl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 62103619
1-[3-[1-(methylamino)ethyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 61340343
1-[3-[1-(methylamino)ethyl]phenyl]-3-(1H-1,2,4-triazol-5-ylmethyl)urea
CID 64523966
1-(4-chlorophenyl)-3-[(1-methylimidazol-2-yl)methyl]urea
CID 110446812
2-methyl-4-[(1-methylimidazol-2-yl)methylcarbamoylamino]benzoic acid
CID 63294408
2-chloro-5-[(1-methylimidazol-2-yl)methylcarbamoylamino]benzoic acid
CID 63294627
2-[4-[(1-methylimidazol-2-yl)methylcarbamoylamino]phenyl]acetic acid
CID 63293690
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
1-[3-[1-(methylamino)ethyl]phenyl]-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea
CID 106383259
1-butan-2-yl-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 61341261
1-(4-butoxyphenyl)-3-[(1-methylimidazol-2-yl)methyl]urea
CID 118784639

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(methylamino)ethyl]phenyl]-3-[(1-methylimidazol-2-yl)methyl]urea?
The IUPAC name of 1-[3-[1-(methylamino)ethyl]phenyl]-3-[(1-methylimidazol-2-yl)methyl]urea (CID 63295845) is 1-[3-[1-(methylamino)ethyl]phenyl]-3-[(1-methylimidazol-2-yl)methyl]urea.
What is the SMILES notation for 1-[3-[1-(methylamino)ethyl]phenyl]-3-[(1-methylimidazol-2-yl)methyl]urea?
The canonical SMILES for 1-[3-[1-(methylamino)ethyl]phenyl]-3-[(1-methylimidazol-2-yl)methyl]urea is CNC(C)c1cccc(NC(=O)NCc2nccn2C)c1.
What is the InChIKey of 1-[3-[1-(methylamino)ethyl]phenyl]-3-[(1-methylimidazol-2-yl)methyl]urea?
The InChIKey is PUZACHWYPDWLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-11(16-2)12-5-4-6-13(9-12)19-15(21)18-10-14-17-7-8-20(14)3/h4-9,11,16H,10H2,1-3H3,(H2,18,19,21).
What are the key properties of 1-[3-[1-(methylamino)ethyl]phenyl]-3-[(1-methylimidazol-2-yl)methyl]urea?
1-[3-[1-(methylamino)ethyl]phenyl]-3-[(1-methylimidazol-2-yl)methyl]urea has a molecular weight of 287.37 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(methylamino)ethyl]phenyl]-3-[(1-methylimidazol-2-yl)methyl]urea is sourced from PubChem (CID 63295845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).