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

C24H31N5O2 — CID 50792175

IUPAC1-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-(3-methylphenyl)urea
SMILESCCn1c(=O)n(CC)c2cc(N3CCCCC3)c(NC(=O)Nc3cccc(C)c3)cc21
InChIInChI=1S/C24H31N5O2/c1-4-28-21-15-19(26-23(30)25-18-11-9-10-17(3)14-18)20(27-12-7-6-8-13-27)16-22(21)29(5-2)24(28)31/h9-11,14-16H,4-8,12-13H2,1-3H3,(H2,25,26,30)
InChIKeyWJUMBILLOZWFSR-UHFFFAOYSA-N
MW421.55 g/mol
LogP4.79
Rot. Bonds5

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

1-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-(3-methylphenyl)urea (PubChem CID 50792175) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 1-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-(3-methylphenyl)urea
PubChem CID50792175
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name1-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-(3-methylphenyl)urea
SMILESCCn1c(=O)n(CC)c2cc(N3CCCCC3)c(NC(=O)Nc3cccc(C)c3)cc21
InChIInChI=1S/C24H31N5O2/c1-4-28-21-15-19(26-23(30)25-18-11-9-10-17(3)14-18)20(27-12-7-6-8-13-27)16-22(21)29(5-2)24(28)31/h9-11,14-16H,4-8,12-13H2,1-3H3,(H2,25,26,30)
InChIKeyWJUMBILLOZWFSR-UHFFFAOYSA-N
XLogP4.79
TPSA71.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-bromophenyl)-3-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)urea
CID 50792267
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-(4-ethoxyphenyl)urea
CID 46249182
1-(3-chloro-4-fluorophenyl)-3-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)urea
CID 50792306
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
N-[3-[(3,5-dimethylphenyl)carbamoylamino]-4-piperidin-1-ylphenyl]-3-methylbenzamide
CID 46326500
1-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-3-[(3-fluorophenyl)methyl]urea
CID 50792297
1-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-(3,5-dimethylphenyl)urea
CID 28867828
N-[3-[(3-bromophenyl)carbamoylamino]-4-pyrrolidin-1-ylphenyl]-3-methylbenzamide
CID 46326353
N-[3-[(3-fluorophenyl)carbamoylamino]-4-piperidin-1-ylphenyl]-3-methylbenzamide
CID 46326527
methyl 3-[(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)amino]-3-oxopropanoate
CID 22433362

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-(3-methylphenyl)urea?
The IUPAC name of 1-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-(3-methylphenyl)urea (CID 50792175) is 1-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-(3-methylphenyl)urea?
The canonical SMILES for 1-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-(3-methylphenyl)urea is CCn1c(=O)n(CC)c2cc(N3CCCCC3)c(NC(=O)Nc3cccc(C)c3)cc21.
What is the InChIKey of 1-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-(3-methylphenyl)urea?
The InChIKey is WJUMBILLOZWFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-4-28-21-15-19(26-23(30)25-18-11-9-10-17(3)14-18)20(27-12-7-6-8-13-27)16-22(21)29(5-2)24(28)31/h9-11,14-16H,4-8,12-13H2,1-3H3,(H2,25,26,30).
What are the key properties of 1-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-(3-methylphenyl)urea?
1-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-(3-methylphenyl)urea has a molecular weight of 421.55 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 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-(3-methylphenyl)urea is sourced from PubChem (CID 50792175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).