1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(1-imidazol-1-ylpropan-2-yl)urea

C14H20N4O2S — CID 111440930

IUPAC1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(1-imidazol-1-ylpropan-2-yl)urea
SMILESCC(Cn1ccnc1)NC(=O)NCC(C)(O)c1cccs1
InChIInChI=1S/C14H20N4O2S/c1-11(8-18-6-5-15-10-18)17-13(19)16-9-14(2,20)12-4-3-7-21-12/h3-7,10-11,20H,8-9H2,1-2H3,(H2,16,17,19)
InChIKeyNSKLYMKAMMGMQJ-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.54
Rot. Bonds6

About 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(1-imidazol-1-ylpropan-2-yl)urea

1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(1-imidazol-1-ylpropan-2-yl)urea (PubChem CID 111440930) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(1-imidazol-1-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(1-imidazol-1-ylpropan-2-yl)urea
PubChem CID111440930
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(1-imidazol-1-ylpropan-2-yl)urea
SMILESCC(Cn1ccnc1)NC(=O)NCC(C)(O)c1cccs1
InChIInChI=1S/C14H20N4O2S/c1-11(8-18-6-5-15-10-18)17-13(19)16-9-14(2,20)12-4-3-7-21-12/h3-7,10-11,20H,8-9H2,1-2H3,(H2,16,17,19)
InChIKeyNSKLYMKAMMGMQJ-UHFFFAOYSA-N
XLogP1.54
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]ethyl]-2-methylpropanamide
CID 94162041
1-(dicyclopropylmethyl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111440963
1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(2-pyridin-3-ylethyl)urea
CID 95131187
1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(1-phenylcyclopropyl)methyl]urea
CID 94183170
methyl N-[4-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]phenyl]carbamate
CID 95574102
2-amino-N-(1-imidazol-1-ylpropan-2-yl)-2-phenylpropanamide;dihydrochloride
CID 120595679
1-[(3-bromophenyl)methyl]-3-[(2S)-1-imidazol-1-ylpropan-2-yl]urea
CID 95045519
1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea
CID 94179657
1-[(2-ethoxy-3-pyridinyl)methyl]-3-(1-imidazol-1-ylpropan-2-yl)urea
CID 51082871
N-[2-(1-imidazol-1-ylpropan-2-ylcarbamoyl)phenyl]-N-methylthiophene-2-carboxamide
CID 47031153
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-thiophen-2-ylethyl)urea
CID 111440752
4-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54957773

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(1-imidazol-1-ylpropan-2-yl)urea?
The IUPAC name of 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(1-imidazol-1-ylpropan-2-yl)urea (CID 111440930) is 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(1-imidazol-1-ylpropan-2-yl)urea.
What is the SMILES notation for 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(1-imidazol-1-ylpropan-2-yl)urea?
The canonical SMILES for 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(1-imidazol-1-ylpropan-2-yl)urea is CC(Cn1ccnc1)NC(=O)NCC(C)(O)c1cccs1.
What is the InChIKey of 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(1-imidazol-1-ylpropan-2-yl)urea?
The InChIKey is NSKLYMKAMMGMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-11(8-18-6-5-15-10-18)17-13(19)16-9-14(2,20)12-4-3-7-21-12/h3-7,10-11,20H,8-9H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(1-imidazol-1-ylpropan-2-yl)urea?
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(1-imidazol-1-ylpropan-2-yl)urea has a molecular weight of 308.41 g/mol, XLogP of 1.54, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(1-imidazol-1-ylpropan-2-yl)urea is sourced from PubChem (CID 111440930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).