1-[2-(dimethylamino)ethyl]-1-ethyl-3-[3-(1H-imidazol-5-yl)phenyl]urea

C16H23N5O — CID 118778285

IUPAC1-[2-(dimethylamino)ethyl]-1-ethyl-3-[3-(1H-imidazol-5-yl)phenyl]urea
SMILESCCN(CCN(C)C)C(=O)Nc1cccc(-c2cnc[nH]2)c1
InChIInChI=1S/C16H23N5O/c1-4-21(9-8-20(2)3)16(22)19-14-7-5-6-13(10-14)15-11-17-12-18-15/h5-7,10-12H,4,8-9H2,1-3H3,(H,17,18)(H,19,22)
InChIKeyKYCBDIPQPDZYOR-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.49
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-1-ethyl-3-[3-(1H-imidazol-5-yl)phenyl]urea

1-[2-(dimethylamino)ethyl]-1-ethyl-3-[3-(1H-imidazol-5-yl)phenyl]urea (PubChem CID 118778285) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-1-ethyl-3-[3-(1H-imidazol-5-yl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-1-ethyl-3-[3-(1H-imidazol-5-yl)phenyl]urea
PubChem CID118778285
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name1-[2-(dimethylamino)ethyl]-1-ethyl-3-[3-(1H-imidazol-5-yl)phenyl]urea
SMILESCCN(CCN(C)C)C(=O)Nc1cccc(-c2cnc[nH]2)c1
InChIInChI=1S/C16H23N5O/c1-4-21(9-8-20(2)3)16(22)19-14-7-5-6-13(10-14)15-11-17-12-18-15/h5-7,10-12H,4,8-9H2,1-3H3,(H,17,18)(H,19,22)
InChIKeyKYCBDIPQPDZYOR-UHFFFAOYSA-N
XLogP2.49
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-1-ethyl-3-[3-(1H-imidazol-5-yl)phenyl]urea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-1-ethyl-3-[3-(1H-imidazol-5-yl)phenyl]urea (CID 118778285) is 1-[2-(dimethylamino)ethyl]-1-ethyl-3-[3-(1H-imidazol-5-yl)phenyl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-1-ethyl-3-[3-(1H-imidazol-5-yl)phenyl]urea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-1-ethyl-3-[3-(1H-imidazol-5-yl)phenyl]urea is CCN(CCN(C)C)C(=O)Nc1cccc(-c2cnc[nH]2)c1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-1-ethyl-3-[3-(1H-imidazol-5-yl)phenyl]urea?
The InChIKey is KYCBDIPQPDZYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-4-21(9-8-20(2)3)16(22)19-14-7-5-6-13(10-14)15-11-17-12-18-15/h5-7,10-12H,4,8-9H2,1-3H3,(H,17,18)(H,19,22).
What are the key properties of 1-[2-(dimethylamino)ethyl]-1-ethyl-3-[3-(1H-imidazol-5-yl)phenyl]urea?
1-[2-(dimethylamino)ethyl]-1-ethyl-3-[3-(1H-imidazol-5-yl)phenyl]urea has a molecular weight of 301.39 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-1-ethyl-3-[3-(1H-imidazol-5-yl)phenyl]urea is sourced from PubChem (CID 118778285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).