1-[2-(2-imidazol-1-ylethoxy)phenyl]-3-thiophen-3-ylurea

C16H16N4O2S — CID 99833540

IUPAC1-[2-(2-imidazol-1-ylethoxy)phenyl]-3-thiophen-3-ylurea
SMILESO=C(Nc1ccsc1)Nc1ccccc1OCCn1ccnc1
InChIInChI=1S/C16H16N4O2S/c21-16(18-13-5-10-23-11-13)19-14-3-1-2-4-15(14)22-9-8-20-7-6-17-12-20/h1-7,10-12H,8-9H2,(H2,18,19,21)
InChIKeyNLMIMJAALROVOW-UHFFFAOYSA-N
MW328.40 g/mol
LogP3.67
Rot. Bonds6

About 1-[2-(2-imidazol-1-ylethoxy)phenyl]-3-thiophen-3-ylurea

1-[2-(2-imidazol-1-ylethoxy)phenyl]-3-thiophen-3-ylurea (PubChem CID 99833540) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 1-[2-(2-imidazol-1-ylethoxy)phenyl]-3-thiophen-3-ylurea.

Molecular Properties

Compound Name1-[2-(2-imidazol-1-ylethoxy)phenyl]-3-thiophen-3-ylurea
PubChem CID99833540
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name1-[2-(2-imidazol-1-ylethoxy)phenyl]-3-thiophen-3-ylurea
SMILESO=C(Nc1ccsc1)Nc1ccccc1OCCn1ccnc1
InChIInChI=1S/C16H16N4O2S/c21-16(18-13-5-10-23-11-13)19-14-3-1-2-4-15(14)22-9-8-20-7-6-17-12-20/h1-7,10-12H,8-9H2,(H2,18,19,21)
InChIKeyNLMIMJAALROVOW-UHFFFAOYSA-N
XLogP3.67
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-N-[2-(2-imidazol-1-ylethoxy)phenyl]-3-thiophen-3-ylprop-2-enamide
CID 51094332
3-amino-N-[2-(2-imidazol-1-ylethoxy)phenyl]-2-methylbutanamide;dihydrochloride
CID 120503297
N-[2-(2-imidazol-1-ylethoxy)phenyl]-4-phenylbenzamide
CID 47789751
N-[2-(2-imidazol-1-ylethoxy)phenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 47789441
2-(cyclopropylmethylamino)-N-[2-(2-imidazol-1-ylethoxy)phenyl]acetamide;dihydrochloride
CID 119862195
1-[2-(2-imidazol-1-ylethoxy)phenyl]-3-[1-(methoxymethyl)cyclobutyl]urea
CID 131961558
(2S)-2-[benzyl(methyl)amino]-N-[2-(2-imidazol-1-ylethoxy)phenyl]butanamide
CID 124721834
(E)-3-(4-fluorophenyl)-N-[2-(2-imidazol-1-ylethoxy)phenyl]prop-2-enamide
CID 47789776
N-[2-(2-imidazol-1-ylethoxy)phenyl]piperidine-3-carboxamide
CID 119862178
3-(4-chlorophenyl)sulfanyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]propanamide
CID 47789737
N-[3-(2-imidazol-1-ylethoxy)phenyl]-3-thiophen-3-ylpropanamide
CID 47045489
5-cyclopropyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]pyrazolidine-3-carboxamide
CID 75613738

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-imidazol-1-ylethoxy)phenyl]-3-thiophen-3-ylurea?
The IUPAC name of 1-[2-(2-imidazol-1-ylethoxy)phenyl]-3-thiophen-3-ylurea (CID 99833540) is 1-[2-(2-imidazol-1-ylethoxy)phenyl]-3-thiophen-3-ylurea.
What is the SMILES notation for 1-[2-(2-imidazol-1-ylethoxy)phenyl]-3-thiophen-3-ylurea?
The canonical SMILES for 1-[2-(2-imidazol-1-ylethoxy)phenyl]-3-thiophen-3-ylurea is O=C(Nc1ccsc1)Nc1ccccc1OCCn1ccnc1.
What is the InChIKey of 1-[2-(2-imidazol-1-ylethoxy)phenyl]-3-thiophen-3-ylurea?
The InChIKey is NLMIMJAALROVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c21-16(18-13-5-10-23-11-13)19-14-3-1-2-4-15(14)22-9-8-20-7-6-17-12-20/h1-7,10-12H,8-9H2,(H2,18,19,21).
What are the key properties of 1-[2-(2-imidazol-1-ylethoxy)phenyl]-3-thiophen-3-ylurea?
1-[2-(2-imidazol-1-ylethoxy)phenyl]-3-thiophen-3-ylurea has a molecular weight of 328.40 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-imidazol-1-ylethoxy)phenyl]-3-thiophen-3-ylurea is sourced from PubChem (CID 99833540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).