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

C20H31N5O2 — CID 50792137

IUPAC1-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-propylurea
SMILESCCCNC(=O)Nc1cc2c(cc1N1CCCCC1)n(CC)c(=O)n2CC
InChIInChI=1S/C20H31N5O2/c1-4-10-21-19(26)22-15-13-17-18(25(6-3)20(27)24(17)5-2)14-16(15)23-11-8-7-9-12-23/h13-14H,4-12H2,1-3H3,(H2,21,22,26)
InChIKeyUKDOJXFEVGJILT-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.36
Rot. Bonds6

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

1-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-propylurea (PubChem CID 50792137) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-propylurea.

Molecular Properties

Compound Name1-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-propylurea
PubChem CID50792137
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC Name1-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-propylurea
SMILESCCCNC(=O)Nc1cc2c(cc1N1CCCCC1)n(CC)c(=O)n2CC
InChIInChI=1S/C20H31N5O2/c1-4-10-21-19(26)22-15-13-17-18(25(6-3)20(27)24(17)5-2)14-16(15)23-11-8-7-9-12-23/h13-14H,4-12H2,1-3H3,(H2,21,22,26)
InChIKeyUKDOJXFEVGJILT-UHFFFAOYSA-N
XLogP3.36
TPSA71.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-butan-2-yl-3-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)urea
CID 50792101
1-(3-chloro-4-methylphenyl)-3-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)urea
CID 46339801
1-(5-chloro-2-piperidin-1-ylphenyl)-3-propylurea
CID 47103290
methyl 3-[(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)amino]-3-oxopropanoate
CID 22433362
1-(2,5-dipyrrolidin-1-ylphenyl)-3-propylurea
CID 110400361
1-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-(3-methylphenyl)urea
CID 50792175
1-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-3-[(3-fluorophenyl)methyl]urea
CID 50792297
1-[2-(azepan-1-yl)phenyl]-3-propylurea
CID 47201899
1-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-(4-ethoxyphenyl)urea
CID 46249182
1-propyl-3-(2-pyrrolidin-1-ylphenyl)urea
CID 47107994
1-(3-bromophenyl)-3-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)urea
CID 50792267
1-(3-chloro-4-fluorophenyl)-3-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)urea
CID 50792306

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-propylurea?
The IUPAC name of 1-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-propylurea (CID 50792137) is 1-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-propylurea.
What is the SMILES notation for 1-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-propylurea?
The canonical SMILES for 1-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-propylurea is CCCNC(=O)Nc1cc2c(cc1N1CCCCC1)n(CC)c(=O)n2CC.
What is the InChIKey of 1-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-propylurea?
The InChIKey is UKDOJXFEVGJILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O2/c1-4-10-21-19(26)22-15-13-17-18(25(6-3)20(27)24(17)5-2)14-16(15)23-11-8-7-9-12-23/h13-14H,4-12H2,1-3H3,(H2,21,22,26).
What are the key properties of 1-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-propylurea?
1-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-propylurea has a molecular weight of 373.50 g/mol, XLogP of 3.36, 6 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-propylurea is sourced from PubChem (CID 50792137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).