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

C14H19N5O — CID 63564699

IUPAC1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1H-imidazol-2-yl)urea
SMILESCCNC(C)c1cccc(NC(=O)Nc2ncc[nH]2)c1
InChIInChI=1S/C14H19N5O/c1-3-15-10(2)11-5-4-6-12(9-11)18-14(20)19-13-16-7-8-17-13/h4-10,15H,3H2,1-2H3,(H3,16,17,18,19,20)
InChIKeyDMAMNHJXZGMYGC-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.72
Rot. Bonds5

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

1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1H-imidazol-2-yl)urea (PubChem CID 63564699) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1H-imidazol-2-yl)urea.

Molecular Properties

Compound Name1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1H-imidazol-2-yl)urea
PubChem CID63564699
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1H-imidazol-2-yl)urea
SMILESCCNC(C)c1cccc(NC(=O)Nc2ncc[nH]2)c1
InChIInChI=1S/C14H19N5O/c1-3-15-10(2)11-5-4-6-12(9-11)18-14(20)19-13-16-7-8-17-13/h4-10,15H,3H2,1-2H3,(H3,16,17,18,19,20)
InChIKeyDMAMNHJXZGMYGC-UHFFFAOYSA-N
XLogP2.72
TPSA81.84 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1H-imidazol-2-ylmethyl)urea
CID 64524358
1-[3-[1-(ethylamino)ethyl]phenyl]-3-pentan-3-ylurea
CID 61340352
N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpropanamide
CID 43507815
1-[3-[1-(ethylamino)ethyl]phenyl]-3-(thiatriazol-5-yl)urea
CID 114913975
N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylbutanamide
CID 43507836
2-[[3-[1-(ethylamino)ethyl]phenyl]carbamoylamino]-N-methylpropanamide
CID 61466725
2-[[3-[1-(ethylamino)ethyl]phenyl]carbamoylamino]acetamide
CID 61339992
1-[3-[1-(ethylamino)ethyl]phenyl]-3-piperidin-1-ylurea
CID 83017066
1-[3-[1-(ethylamino)ethyl]phenyl]-3-(3,3,3-trifluoropropyl)urea
CID 63227876
N-[3-[1-(ethylamino)ethyl]phenyl]-1H-pyrazole-4-carboxamide
CID 55182293
1-(1-cyclopropylpropan-2-yl)-3-[3-[1-(ethylamino)ethyl]phenyl]urea
CID 63995585
2-ethyl-N-[3-[1-(ethylamino)ethyl]phenyl]pyrrolidine-1-carboxamide
CID 61340887

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1H-imidazol-2-yl)urea?
The IUPAC name of 1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1H-imidazol-2-yl)urea (CID 63564699) is 1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1H-imidazol-2-yl)urea.
What is the SMILES notation for 1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1H-imidazol-2-yl)urea?
The canonical SMILES for 1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1H-imidazol-2-yl)urea is CCNC(C)c1cccc(NC(=O)Nc2ncc[nH]2)c1.
What is the InChIKey of 1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1H-imidazol-2-yl)urea?
The InChIKey is DMAMNHJXZGMYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-3-15-10(2)11-5-4-6-12(9-11)18-14(20)19-13-16-7-8-17-13/h4-10,15H,3H2,1-2H3,(H3,16,17,18,19,20).
What are the key properties of 1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1H-imidazol-2-yl)urea?
1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1H-imidazol-2-yl)urea has a molecular weight of 273.34 g/mol, XLogP of 2.72, 5 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-yl)urea is sourced from PubChem (CID 63564699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).