1-[2-(2-propan-2-ylbenzimidazol-1-yl)acetyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one

C23H32N4O2 — CID 162631229

IUPAC1-[2-(2-propan-2-ylbenzimidazol-1-yl)acetyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one
SMILESCCCN1CCCC2(CCCN2C(=O)Cn2c(C(C)C)nc3ccccc32)C1=O
InChIInChI=1S/C23H32N4O2/c1-4-13-25-14-7-11-23(22(25)29)12-8-15-27(23)20(28)16-26-19-10-6-5-9-18(19)24-21(26)17(2)3/h5-6,9-10,17H,4,7-8,11-16H2,1-3H3
InChIKeyKXMXJURWTGATNY-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.55
Rot. Bonds5

About 1-[2-(2-propan-2-ylbenzimidazol-1-yl)acetyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one

1-[2-(2-propan-2-ylbenzimidazol-1-yl)acetyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162631229) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 1-[2-(2-propan-2-ylbenzimidazol-1-yl)acetyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-[2-(2-propan-2-ylbenzimidazol-1-yl)acetyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162631229
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name1-[2-(2-propan-2-ylbenzimidazol-1-yl)acetyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one
SMILESCCCN1CCCC2(CCCN2C(=O)Cn2c(C(C)C)nc3ccccc32)C1=O
InChIInChI=1S/C23H32N4O2/c1-4-13-25-14-7-11-23(22(25)29)12-8-15-27(23)20(28)16-26-19-10-6-5-9-18(19)24-21(26)17(2)3/h5-6,9-10,17H,4,7-8,11-16H2,1-3H3
InChIKeyKXMXJURWTGATNY-UHFFFAOYSA-N
XLogP3.55
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2H-indazol-3-yl)acetyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 163313724
1-morpholin-4-yl-2-(2-propan-2-ylbenzimidazol-1-yl)ethanone
CID 16996586
1-[(3aS,5S,6S,7aR)-5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-(2-propan-2-ylbenzimidazol-1-yl)ethanone
CID 118790261
N-ethyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028648
(6S)-1,3-dimethyl-1'-[2-(2-propan-2-ylbenzimidazol-1-yl)acetyl]spiro[5H-furo[2,3-d]pyrimidine-6,4'-azepane]-2,4-dione
CID 125027158
1-(2-methyl-3H-benzimidazole-5-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162628389
1-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-(2-propan-2-ylbenzimidazol-1-yl)ethanone
CID 126431416
1-ethyl-2-propan-2-ylbenzimidazole
CID 962427
1-[3-(2,4-dimethylphenyl)propanoyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162625940
N-benzyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028642
3-(2-propan-2-ylbenzimidazol-1-yl)propanamide
CID 3627686
N-phenyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028613

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-propan-2-ylbenzimidazol-1-yl)acetyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-[2-(2-propan-2-ylbenzimidazol-1-yl)acetyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one (CID 162631229) is 1-[2-(2-propan-2-ylbenzimidazol-1-yl)acetyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-[2-(2-propan-2-ylbenzimidazol-1-yl)acetyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-[2-(2-propan-2-ylbenzimidazol-1-yl)acetyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one is CCCN1CCCC2(CCCN2C(=O)Cn2c(C(C)C)nc3ccccc32)C1=O.
What is the InChIKey of 1-[2-(2-propan-2-ylbenzimidazol-1-yl)acetyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is KXMXJURWTGATNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-4-13-25-14-7-11-23(22(25)29)12-8-15-27(23)20(28)16-26-19-10-6-5-9-18(19)24-21(26)17(2)3/h5-6,9-10,17H,4,7-8,11-16H2,1-3H3.
What are the key properties of 1-[2-(2-propan-2-ylbenzimidazol-1-yl)acetyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one?
1-[2-(2-propan-2-ylbenzimidazol-1-yl)acetyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 396.54 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-propan-2-ylbenzimidazol-1-yl)acetyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162631229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).