1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1H-imidazol-2-ylmethyl)urea

C15H21N5O — CID 64524358

IUPAC1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1H-imidazol-2-ylmethyl)urea
SMILESCCNC(C)c1cccc(NC(=O)NCc2ncc[nH]2)c1
InChIInChI=1S/C15H21N5O/c1-3-16-11(2)12-5-4-6-13(9-12)20-15(21)19-10-14-17-7-8-18-14/h4-9,11,16H,3,10H2,1-2H3,(H,17,18)(H2,19,20,21)
InChIKeyXUKAVLQCAVGBHF-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.40
Rot. Bonds6

About 1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1H-imidazol-2-ylmethyl)urea

1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1H-imidazol-2-ylmethyl)urea (PubChem CID 64524358) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1H-imidazol-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1H-imidazol-2-ylmethyl)urea
PubChem CID64524358
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1H-imidazol-2-ylmethyl)urea
SMILESCCNC(C)c1cccc(NC(=O)NCc2ncc[nH]2)c1
InChIInChI=1S/C15H21N5O/c1-3-16-11(2)12-5-4-6-13(9-12)20-15(21)19-10-14-17-7-8-18-14/h4-9,11,16H,3,10H2,1-2H3,(H,17,18)(H2,19,20,21)
InChIKeyXUKAVLQCAVGBHF-UHFFFAOYSA-N
XLogP2.40
TPSA81.84 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1H-imidazol-2-yl)urea
CID 63564699
2-[[3-[1-(ethylamino)ethyl]phenyl]carbamoylamino]acetamide
CID 61339992
1-(3,4-dichlorophenyl)-3-(1H-imidazol-2-ylmethyl)urea
CID 64531467
1-[3-[1-(ethylamino)ethyl]phenyl]-3-(3,3,3-trifluoropropyl)urea
CID 63227876
1-[3-[1-(ethylamino)ethyl]phenyl]-3-pentan-3-ylurea
CID 61340352
1-[3-[1-(methylamino)ethyl]phenyl]-3-(1H-1,2,4-triazol-5-ylmethyl)urea
CID 64523966
N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpropanamide
CID 43507815
N-[3-(1H-imidazol-2-ylmethylcarbamoylamino)phenyl]cyclohexanecarboxamide
CID 75438864
N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylbutanamide
CID 43507836
2-[[3-[1-(ethylamino)ethyl]phenyl]carbamoylamino]-N-methylpropanamide
CID 61466725
(1R)-1-(3-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)ethanamine
CID 81368803
1-[3-[1-(ethylamino)ethyl]phenyl]-3-(oxolan-2-ylmethyl)urea
CID 61341839

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1H-imidazol-2-ylmethyl)urea?
The IUPAC name of 1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1H-imidazol-2-ylmethyl)urea (CID 64524358) is 1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1H-imidazol-2-ylmethyl)urea.
What is the SMILES notation for 1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1H-imidazol-2-ylmethyl)urea?
The canonical SMILES for 1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1H-imidazol-2-ylmethyl)urea is CCNC(C)c1cccc(NC(=O)NCc2ncc[nH]2)c1.
What is the InChIKey of 1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1H-imidazol-2-ylmethyl)urea?
The InChIKey is XUKAVLQCAVGBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-3-16-11(2)12-5-4-6-13(9-12)20-15(21)19-10-14-17-7-8-18-14/h4-9,11,16H,3,10H2,1-2H3,(H,17,18)(H2,19,20,21).
What are the key properties of 1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1H-imidazol-2-ylmethyl)urea?
1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1H-imidazol-2-ylmethyl)urea has a molecular weight of 287.37 g/mol, XLogP of 2.40, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1H-imidazol-2-ylmethyl)urea is sourced from PubChem (CID 64524358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).