1-(2-ethylphenyl)-3-[2-[5-(propan-2-ylsulfamoyl)benzimidazol-1-yl]ethyl]urea

C21H27N5O3S — CID 50846879

IUPAC1-(2-ethylphenyl)-3-[2-[5-(propan-2-ylsulfamoyl)benzimidazol-1-yl]ethyl]urea
SMILESCCc1ccccc1NC(=O)NCCn1cnc2cc(S(=O)(=O)NC(C)C)ccc21
InChIInChI=1S/C21H27N5O3S/c1-4-16-7-5-6-8-18(16)24-21(27)22-11-12-26-14-23-19-13-17(9-10-20(19)26)30(28,29)25-15(2)3/h5-10,13-15,25H,4,11-12H2,1-3H3,(H2,22,24,27)
InChIKeyPUGAHKOZFNSKKI-UHFFFAOYSA-N
MW429.55 g/mol
LogP3.11
Rot. Bonds8

About 1-(2-ethylphenyl)-3-[2-[5-(propan-2-ylsulfamoyl)benzimidazol-1-yl]ethyl]urea

1-(2-ethylphenyl)-3-[2-[5-(propan-2-ylsulfamoyl)benzimidazol-1-yl]ethyl]urea (PubChem CID 50846879) has the molecular formula C21H27N5O3S and a molecular weight of 429.55 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-3-[2-[5-(propan-2-ylsulfamoyl)benzimidazol-1-yl]ethyl]urea.

Molecular Properties

Compound Name1-(2-ethylphenyl)-3-[2-[5-(propan-2-ylsulfamoyl)benzimidazol-1-yl]ethyl]urea
PubChem CID50846879
Molecular FormulaC21H27N5O3S
Molecular Weight429.55 g/mol
Exact Mass429.18
IUPAC Name1-(2-ethylphenyl)-3-[2-[5-(propan-2-ylsulfamoyl)benzimidazol-1-yl]ethyl]urea
SMILESCCc1ccccc1NC(=O)NCCn1cnc2cc(S(=O)(=O)NC(C)C)ccc21
InChIInChI=1S/C21H27N5O3S/c1-4-16-7-5-6-8-18(16)24-21(27)22-11-12-26-14-23-19-13-17(9-10-20(19)26)30(28,29)25-15(2)3/h5-10,13-15,25H,4,11-12H2,1-3H3,(H2,22,24,27)
InChIKeyPUGAHKOZFNSKKI-UHFFFAOYSA-N
XLogP3.11
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethylphenyl)-3-[2-[5-(pyrrolidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea
CID 20974914
1-(5-chloro-2-methylphenyl)-3-[2-[5-(propan-2-ylsulfamoyl)benzotriazol-1-yl]ethyl]urea
CID 53110987
1-(4-methylphenyl)-3-[2-[5-(propan-2-ylsulfamoyl)benzotriazol-1-yl]ethyl]urea
CID 53110985
1-(3-methylphenyl)-3-[2-[5-(propan-2-ylsulfamoyl)benzotriazol-1-yl]ethyl]urea
CID 53110994
1-[2-[5-(pyrrolidine-1-carbonyl)benzimidazol-1-yl]ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 20974870
1-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methylphenyl)urea
CID 121119862
N-(3-chloro-2-methylphenyl)-1-[2-(propan-2-ylcarbamoylamino)ethyl]benzimidazole-5-carboxamide
CID 50849196
3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-(2-ethoxyphenyl)propanamide
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1-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-N-propan-2-ylbenzimidazole-5-carboxamide
CID 20974974
3-(benzimidazol-1-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 60554892
1-[2-(butan-2-ylcarbamoylamino)ethyl]-N,N-dimethylbenzimidazole-5-carboxamide
CID 20974967
2-amino-N-[3-(benzimidazol-1-yl)propyl]-3-methylbutanamide
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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-3-[2-[5-(propan-2-ylsulfamoyl)benzimidazol-1-yl]ethyl]urea?
The IUPAC name of 1-(2-ethylphenyl)-3-[2-[5-(propan-2-ylsulfamoyl)benzimidazol-1-yl]ethyl]urea (CID 50846879) is 1-(2-ethylphenyl)-3-[2-[5-(propan-2-ylsulfamoyl)benzimidazol-1-yl]ethyl]urea.
What is the SMILES notation for 1-(2-ethylphenyl)-3-[2-[5-(propan-2-ylsulfamoyl)benzimidazol-1-yl]ethyl]urea?
The canonical SMILES for 1-(2-ethylphenyl)-3-[2-[5-(propan-2-ylsulfamoyl)benzimidazol-1-yl]ethyl]urea is CCc1ccccc1NC(=O)NCCn1cnc2cc(S(=O)(=O)NC(C)C)ccc21.
What is the InChIKey of 1-(2-ethylphenyl)-3-[2-[5-(propan-2-ylsulfamoyl)benzimidazol-1-yl]ethyl]urea?
The InChIKey is PUGAHKOZFNSKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3S/c1-4-16-7-5-6-8-18(16)24-21(27)22-11-12-26-14-23-19-13-17(9-10-20(19)26)30(28,29)25-15(2)3/h5-10,13-15,25H,4,11-12H2,1-3H3,(H2,22,24,27).
What are the key properties of 1-(2-ethylphenyl)-3-[2-[5-(propan-2-ylsulfamoyl)benzimidazol-1-yl]ethyl]urea?
1-(2-ethylphenyl)-3-[2-[5-(propan-2-ylsulfamoyl)benzimidazol-1-yl]ethyl]urea has a molecular weight of 429.55 g/mol, XLogP of 3.11, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-3-[2-[5-(propan-2-ylsulfamoyl)benzimidazol-1-yl]ethyl]urea is sourced from PubChem (CID 50846879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).