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

C21H33N5O2 — CID 50792101

IUPAC1-butan-2-yl-3-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)urea
SMILESCCC(C)NC(=O)Nc1cc2c(cc1N1CCCCC1)n(CC)c(=O)n2CC
InChIInChI=1S/C21H33N5O2/c1-5-15(4)22-20(27)23-16-13-18-19(26(7-3)21(28)25(18)6-2)14-17(16)24-11-9-8-10-12-24/h13-15H,5-12H2,1-4H3,(H2,22,23,27)
InChIKeyOIOBNWAMQCQFJO-UHFFFAOYSA-N
MW387.53 g/mol
LogP3.75
Rot. Bonds6

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

1-butan-2-yl-3-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)urea (PubChem CID 50792101) has the molecular formula C21H33N5O2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 1-butan-2-yl-3-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)urea.

Molecular Properties

Compound Name1-butan-2-yl-3-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)urea
PubChem CID50792101
Molecular FormulaC21H33N5O2
Molecular Weight387.53 g/mol
Exact Mass387.26
IUPAC Name1-butan-2-yl-3-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)urea
SMILESCCC(C)NC(=O)Nc1cc2c(cc1N1CCCCC1)n(CC)c(=O)n2CC
InChIInChI=1S/C21H33N5O2/c1-5-15(4)22-20(27)23-16-13-18-19(26(7-3)21(28)25(18)6-2)14-17(16)24-11-9-8-10-12-24/h13-15H,5-12H2,1-4H3,(H2,22,23,27)
InChIKeyOIOBNWAMQCQFJO-UHFFFAOYSA-N
XLogP3.75
TPSA71.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-butan-2-yl]-3-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)urea
CID 95050232
1-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-propylurea
CID 50792137
methyl 3-[(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)amino]-3-oxopropanoate
CID 22433362
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-piperidin-1-ylbenzimidazol-5-yl)-3-(4-ethoxyphenyl)urea
CID 46249182
1-(3-chloro-4-methylphenyl)-3-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)urea
CID 46339801
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
1-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-3-[(3-fluorophenyl)methyl]urea
CID 50792297
5-amino-1,3-diethyl-6-pyrrolidin-1-ylbenzimidazol-2-one
CID 28908476
1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-propan-2-ylurea
CID 50791995
1-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 125177949

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)urea?
The IUPAC name of 1-butan-2-yl-3-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)urea (CID 50792101) is 1-butan-2-yl-3-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)urea.
What is the SMILES notation for 1-butan-2-yl-3-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)urea?
The canonical SMILES for 1-butan-2-yl-3-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)urea is CCC(C)NC(=O)Nc1cc2c(cc1N1CCCCC1)n(CC)c(=O)n2CC.
What is the InChIKey of 1-butan-2-yl-3-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)urea?
The InChIKey is OIOBNWAMQCQFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O2/c1-5-15(4)22-20(27)23-16-13-18-19(26(7-3)21(28)25(18)6-2)14-17(16)24-11-9-8-10-12-24/h13-15H,5-12H2,1-4H3,(H2,22,23,27).
What are the key properties of 1-butan-2-yl-3-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)urea?
1-butan-2-yl-3-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)urea has a molecular weight of 387.53 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)urea is sourced from PubChem (CID 50792101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).