1-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-(4-ethoxyphenyl)urea

C25H33N5O3 — CID 46249182

IUPAC1-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)Nc2cc3c(cc2N2CCCCC2)n(CC)c(=O)n3CC)cc1
InChIInChI=1S/C25H33N5O3/c1-4-29-22-16-20(27-24(31)26-18-10-12-19(13-11-18)33-6-3)21(28-14-8-7-9-15-28)17-23(22)30(5-2)25(29)32/h10-13,16-17H,4-9,14-15H2,1-3H3,(H2,26,27,31)
InChIKeyKJGZMXDWCYIYKH-UHFFFAOYSA-N
MW451.57 g/mol
LogP4.88
Rot. Bonds7

About 1-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-(4-ethoxyphenyl)urea

1-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-(4-ethoxyphenyl)urea (PubChem CID 46249182) has the molecular formula C25H33N5O3 and a molecular weight of 451.57 g/mol. Its IUPAC name is 1-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-(4-ethoxyphenyl)urea.

Molecular Properties

Compound Name1-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-(4-ethoxyphenyl)urea
PubChem CID46249182
Molecular FormulaC25H33N5O3
Molecular Weight451.57 g/mol
Exact Mass451.26
IUPAC Name1-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)Nc2cc3c(cc2N2CCCCC2)n(CC)c(=O)n3CC)cc1
InChIInChI=1S/C25H33N5O3/c1-4-29-22-16-20(27-24(31)26-18-10-12-19(13-11-18)33-6-3)21(28-14-8-7-9-15-28)17-23(22)30(5-2)25(29)32/h10-13,16-17H,4-9,14-15H2,1-3H3,(H2,26,27,31)
InChIKeyKJGZMXDWCYIYKH-UHFFFAOYSA-N
XLogP4.88
TPSA80.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-chloro-4-methylphenyl)-3-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)urea
CID 46339801
1-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-(3-methylphenyl)urea
CID 50792175
1-(3-chloro-4-fluorophenyl)-3-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)urea
CID 50792306
1-(3-bromophenyl)-3-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)urea
CID 50792267
1-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-propylurea
CID 50792137
1-butan-2-yl-3-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)urea
CID 50792101
methyl 3-[(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)amino]-3-oxopropanoate
CID 22433362
5-[(4-ethoxyphenyl)carbamoylamino]-N-[(1R)-1-phenylethyl]-2-piperidin-1-ylbenzamide
CID 93099771
N-(4-ethoxyphenyl)-2-(6-ethyl-5,7-dioxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide
CID 50833505
N-[2-(diethylamino)ethyl]-5-[(4-ethoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 3323472
1-(4-ethoxyphenyl)-3-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354587
N-(4-ethoxyphenyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204671

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-(4-ethoxyphenyl)urea?
The IUPAC name of 1-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-(4-ethoxyphenyl)urea (CID 46249182) is 1-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-(4-ethoxyphenyl)urea.
What is the SMILES notation for 1-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-(4-ethoxyphenyl)urea?
The canonical SMILES for 1-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-(4-ethoxyphenyl)urea is CCOc1ccc(NC(=O)Nc2cc3c(cc2N2CCCCC2)n(CC)c(=O)n3CC)cc1.
What is the InChIKey of 1-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-(4-ethoxyphenyl)urea?
The InChIKey is KJGZMXDWCYIYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O3/c1-4-29-22-16-20(27-24(31)26-18-10-12-19(13-11-18)33-6-3)21(28-14-8-7-9-15-28)17-23(22)30(5-2)25(29)32/h10-13,16-17H,4-9,14-15H2,1-3H3,(H2,26,27,31).
What are the key properties of 1-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-(4-ethoxyphenyl)urea?
1-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-(4-ethoxyphenyl)urea has a molecular weight of 451.57 g/mol, XLogP of 4.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-(4-ethoxyphenyl)urea is sourced from PubChem (CID 46249182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).