1-(3-morpholin-4-ylpropyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea

C15H21N5O2S — CID 8615388

IUPAC1-(3-morpholin-4-ylpropyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea
SMILESO=c1[nH]c2ccc(NC(=S)NCCCN3CCOCC3)cc2[nH]1
InChIInChI=1S/C15H21N5O2S/c21-14-18-12-3-2-11(10-13(12)19-14)17-15(23)16-4-1-5-20-6-8-22-9-7-20/h2-3,10H,1,4-9H2,(H2,16,17,23)(H2,18,19,21)
InChIKeyOQLTVRBEMQFJMJ-UHFFFAOYSA-N
MW335.43 g/mol
LogP0.86
Rot. Bonds5

About 1-(3-morpholin-4-ylpropyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea

1-(3-morpholin-4-ylpropyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea (PubChem CID 8615388) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylpropyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea.

Molecular Properties

Compound Name1-(3-morpholin-4-ylpropyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea
PubChem CID8615388
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name1-(3-morpholin-4-ylpropyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea
SMILESO=c1[nH]c2ccc(NC(=S)NCCCN3CCOCC3)cc2[nH]1
InChIInChI=1S/C15H21N5O2S/c21-14-18-12-3-2-11(10-13(12)19-14)17-15(23)16-4-1-5-20-6-8-22-9-7-20/h2-3,10H,1,4-9H2,(H2,16,17,23)(H2,18,19,21)
InChIKeyOQLTVRBEMQFJMJ-UHFFFAOYSA-N
XLogP0.86
TPSA85.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 50.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-morpholin-4-yl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 4975216
1-(3-anilinophenyl)-3-(3-morpholin-4-ylpropyl)thiourea
CID 8679916
1-(4-methylsulfanylphenyl)-3-(3-morpholin-4-ylpropyl)thiourea
CID 8564807
1-(3-chloro-4-methoxyphenyl)-3-(3-morpholin-4-ylpropyl)thiourea
CID 8618840
1-(3-morpholin-4-ylpropyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea
CID 8624491
N'-(1H-indol-6-yl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 39032833
N,N-diethyl-4-(3-morpholin-4-ylpropylcarbamothioylamino)benzamide
CID 4968567
1-[4-(difluoromethylsulfanyl)phenyl]-3-(3-morpholin-4-ylpropyl)thiourea
CID 2373595
1-(3H-benzimidazol-5-yl)-3-(3-morpholin-4-ylpropyl)urea
CID 108885871
1-(4-fluoroanilino)-3-(3-morpholin-4-ylpropyl)thiourea
CID 8669181
1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 2105675
1-(5-hydroxynaphthalen-1-yl)-3-(3-morpholin-4-ylpropyl)thiourea
CID 8617118

Frequently Asked Questions

What is the IUPAC name of 1-(3-morpholin-4-ylpropyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea?
The IUPAC name of 1-(3-morpholin-4-ylpropyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea (CID 8615388) is 1-(3-morpholin-4-ylpropyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea.
What is the SMILES notation for 1-(3-morpholin-4-ylpropyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea?
The canonical SMILES for 1-(3-morpholin-4-ylpropyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea is O=c1[nH]c2ccc(NC(=S)NCCCN3CCOCC3)cc2[nH]1.
What is the InChIKey of 1-(3-morpholin-4-ylpropyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea?
The InChIKey is OQLTVRBEMQFJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c21-14-18-12-3-2-11(10-13(12)19-14)17-15(23)16-4-1-5-20-6-8-22-9-7-20/h2-3,10H,1,4-9H2,(H2,16,17,23)(H2,18,19,21).
What are the key properties of 1-(3-morpholin-4-ylpropyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea?
1-(3-morpholin-4-ylpropyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea has a molecular weight of 335.43 g/mol, XLogP of 0.86, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylpropyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea is sourced from PubChem (CID 8615388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).