1-(3H-benzimidazol-5-yl)-3-(3-morpholin-4-ylpropyl)urea

C15H21N5O2 — CID 108885871

IUPAC1-(3H-benzimidazol-5-yl)-3-(3-morpholin-4-ylpropyl)urea
SMILESO=C(NCCCN1CCOCC1)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C15H21N5O2/c21-15(16-4-1-5-20-6-8-22-9-7-20)19-12-2-3-13-14(10-12)18-11-17-13/h2-3,10-11H,1,4-9H2,(H,17,18)(H2,16,19,21)
InChIKeyCYIUQDPVAXUPKH-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.41
Rot. Bonds5

About 1-(3H-benzimidazol-5-yl)-3-(3-morpholin-4-ylpropyl)urea

1-(3H-benzimidazol-5-yl)-3-(3-morpholin-4-ylpropyl)urea (PubChem CID 108885871) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-3-(3-morpholin-4-ylpropyl)urea.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-3-(3-morpholin-4-ylpropyl)urea
PubChem CID108885871
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name1-(3H-benzimidazol-5-yl)-3-(3-morpholin-4-ylpropyl)urea
SMILESO=C(NCCCN1CCOCC1)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C15H21N5O2/c21-15(16-4-1-5-20-6-8-22-9-7-20)19-12-2-3-13-14(10-12)18-11-17-13/h2-3,10-11H,1,4-9H2,(H,17,18)(H2,16,19,21)
InChIKeyCYIUQDPVAXUPKH-UHFFFAOYSA-N
XLogP1.41
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3H-benzimidazol-5-yl)-3-dodecylurea
CID 58973015
4-[3-(3H-benzimidazol-5-yl)propyl]morpholine
CID 170870089
1-(4-bromophenyl)-3-(4-morpholin-4-ylbutyl)urea
CID 46831361
N'-(1H-indol-6-yl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 39032833
1-(3H-benzimidazol-5-yl)-3-(2,2-dimethylpropyl)urea
CID 110748284
1-(3-morpholin-4-ylpropyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea
CID 8615388
1-(3-morpholin-4-ylpropyl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869740
1-amino-3-(3H-benzimidazol-5-yl)urea
CID 115192411
1-(3-chloro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 3579443
1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(3-morpholin-4-ylpropyl)urea
CID 60605719
1-(3H-benzimidazol-5-yl)-3-(4-hydroxyphenyl)urea
CID 108885789
1-hexyl-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea
CID 56557196

Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-3-(3-morpholin-4-ylpropyl)urea?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-3-(3-morpholin-4-ylpropyl)urea (CID 108885871) is 1-(3H-benzimidazol-5-yl)-3-(3-morpholin-4-ylpropyl)urea.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-3-(3-morpholin-4-ylpropyl)urea?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-3-(3-morpholin-4-ylpropyl)urea is O=C(NCCCN1CCOCC1)Nc1ccc2nc[nH]c2c1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-3-(3-morpholin-4-ylpropyl)urea?
The InChIKey is CYIUQDPVAXUPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c21-15(16-4-1-5-20-6-8-22-9-7-20)19-12-2-3-13-14(10-12)18-11-17-13/h2-3,10-11H,1,4-9H2,(H,17,18)(H2,16,19,21).
What are the key properties of 1-(3H-benzimidazol-5-yl)-3-(3-morpholin-4-ylpropyl)urea?
1-(3H-benzimidazol-5-yl)-3-(3-morpholin-4-ylpropyl)urea has a molecular weight of 303.37 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-3-(3-morpholin-4-ylpropyl)urea is sourced from PubChem (CID 108885871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).