1-(2-imidazol-1-ylethyl)-3-[(2S)-2-methoxy-2-thiophen-2-ylethyl]-1-methylurea

C14H20N4O2S — CID 126433948

IUPAC1-(2-imidazol-1-ylethyl)-3-[(2S)-2-methoxy-2-thiophen-2-ylethyl]-1-methylurea
SMILESCO[C@@H](CNC(=O)N(C)CCn1ccnc1)c1cccs1
InChIInChI=1S/C14H20N4O2S/c1-17(7-8-18-6-5-15-11-18)14(19)16-10-12(20-2)13-4-3-9-21-13/h3-6,9,11-12H,7-8,10H2,1-2H3,(H,16,19)/t12-/m0/s1
InChIKeyVTGDVXUTTSZIDW-LBPRGKRZSA-N
MW308.41 g/mol
LogP1.97
Rot. Bonds7

About 1-(2-imidazol-1-ylethyl)-3-[(2S)-2-methoxy-2-thiophen-2-ylethyl]-1-methylurea

1-(2-imidazol-1-ylethyl)-3-[(2S)-2-methoxy-2-thiophen-2-ylethyl]-1-methylurea (PubChem CID 126433948) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 1-(2-imidazol-1-ylethyl)-3-[(2S)-2-methoxy-2-thiophen-2-ylethyl]-1-methylurea.

Molecular Properties

Compound Name1-(2-imidazol-1-ylethyl)-3-[(2S)-2-methoxy-2-thiophen-2-ylethyl]-1-methylurea
PubChem CID126433948
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name1-(2-imidazol-1-ylethyl)-3-[(2S)-2-methoxy-2-thiophen-2-ylethyl]-1-methylurea
SMILESCO[C@@H](CNC(=O)N(C)CCn1ccnc1)c1cccs1
InChIInChI=1S/C14H20N4O2S/c1-17(7-8-18-6-5-15-11-18)14(19)16-10-12(20-2)13-4-3-9-21-13/h3-6,9,11-12H,7-8,10H2,1-2H3,(H,16,19)/t12-/m0/s1
InChIKeyVTGDVXUTTSZIDW-LBPRGKRZSA-N
XLogP1.97
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-imidazol-1-ylethyl)-3-[(2S)-2-methoxy-2-thiophen-2-ylethyl]-1-methylurea with MolForge

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Related Compounds

3-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-(2-imidazol-1-ylethyl)-1-methylurea
CID 125439891
formic acid;3-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-1-(2-imidazol-1-ylethyl)-1-methylurea
CID 154909155
1-(3-imidazol-1-ylpropyl)-1-methyl-3-[(3-methylthiophen-2-yl)methyl]urea
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(1S)-3-imidazol-1-yl-1-thiophen-2-ylpropan-1-ol
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1-(2-imidazol-1-ylethyl)-1-methyl-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea
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3-(2,6-dimethyl-4-pyridinyl)-1-(2-imidazol-1-ylethyl)-1-methylurea
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N-(2-methoxy-2-thiophen-2-ylethyl)-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
CID 50959243
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Frequently Asked Questions

What is the IUPAC name of 1-(2-imidazol-1-ylethyl)-3-[(2S)-2-methoxy-2-thiophen-2-ylethyl]-1-methylurea?
The IUPAC name of 1-(2-imidazol-1-ylethyl)-3-[(2S)-2-methoxy-2-thiophen-2-ylethyl]-1-methylurea (CID 126433948) is 1-(2-imidazol-1-ylethyl)-3-[(2S)-2-methoxy-2-thiophen-2-ylethyl]-1-methylurea.
What is the SMILES notation for 1-(2-imidazol-1-ylethyl)-3-[(2S)-2-methoxy-2-thiophen-2-ylethyl]-1-methylurea?
The canonical SMILES for 1-(2-imidazol-1-ylethyl)-3-[(2S)-2-methoxy-2-thiophen-2-ylethyl]-1-methylurea is CO[C@@H](CNC(=O)N(C)CCn1ccnc1)c1cccs1.
What is the InChIKey of 1-(2-imidazol-1-ylethyl)-3-[(2S)-2-methoxy-2-thiophen-2-ylethyl]-1-methylurea?
The InChIKey is VTGDVXUTTSZIDW-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-17(7-8-18-6-5-15-11-18)14(19)16-10-12(20-2)13-4-3-9-21-13/h3-6,9,11-12H,7-8,10H2,1-2H3,(H,16,19)/t12-/m0/s1.
What are the key properties of 1-(2-imidazol-1-ylethyl)-3-[(2S)-2-methoxy-2-thiophen-2-ylethyl]-1-methylurea?
1-(2-imidazol-1-ylethyl)-3-[(2S)-2-methoxy-2-thiophen-2-ylethyl]-1-methylurea has a molecular weight of 308.41 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imidazol-1-ylethyl)-3-[(2S)-2-methoxy-2-thiophen-2-ylethyl]-1-methylurea is sourced from PubChem (CID 126433948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).