3H-benzimidazol-5-yl-[(5S)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone

C24H34N4O — CID 42197173

IUPAC3H-benzimidazol-5-yl-[(5S)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
SMILESO=C(c1ccc2nc[nH]c2c1)N1CC[C@]2(CCCN(CCC3CCCCC3)C2)C1
InChIInChI=1S/C24H34N4O/c29-23(20-7-8-21-22(15-20)26-18-25-21)28-14-11-24(17-28)10-4-12-27(16-24)13-9-19-5-2-1-3-6-19/h7-8,15,18-19H,1-6,9-14,16-17H2,(H,25,26)/t24-/m0/s1
InChIKeyFKBRQEJMMXZWPE-DEOSSOPVSA-N
MW394.56 g/mol
LogP4.46
Rot. Bonds4

About 3H-benzimidazol-5-yl-[(5S)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone

3H-benzimidazol-5-yl-[(5S)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone (PubChem CID 42197173) has the molecular formula C24H34N4O and a molecular weight of 394.56 g/mol. Its IUPAC name is 3H-benzimidazol-5-yl-[(5S)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Name3H-benzimidazol-5-yl-[(5S)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
PubChem CID42197173
Molecular FormulaC24H34N4O
Molecular Weight394.56 g/mol
Exact Mass394.27
IUPAC Name3H-benzimidazol-5-yl-[(5S)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
SMILESO=C(c1ccc2nc[nH]c2c1)N1CC[C@]2(CCCN(CCC3CCCCC3)C2)C1
InChIInChI=1S/C24H34N4O/c29-23(20-7-8-21-22(15-20)26-18-25-21)28-14-11-24(17-28)10-4-12-27(16-24)13-9-19-5-2-1-3-6-19/h7-8,15,18-19H,1-6,9-14,16-17H2,(H,25,26)/t24-/m0/s1
InChIKeyFKBRQEJMMXZWPE-DEOSSOPVSA-N
XLogP4.46
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3H-benzimidazol-5-yl-[(5S)-9-[(4-propan-2-ylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 42289303
[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(2,6-dimethylpyrimidin-4-yl)methanone
CID 42507900
[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]-(3H-benzimidazol-5-yl)methanone
CID 95339891
[9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 45201373
[9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 45209392
3H-benzimidazol-5-yl-(4,4-dimethylazepan-1-yl)methanone
CID 65282069
3H-benzimidazol-5-yl-[3-(pyrrolidin-1-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 134072574
[9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(3-methylfuran-2-yl)methanone
CID 45216512
1-(3H-benzimidazol-5-yl)-2-piperidin-1-ylethanone
CID 82052590
(3-aminopiperidin-1-yl)-(3H-benzimidazol-5-yl)methanone
CID 61296468
3H-benzimidazol-5-yl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 131654404
3H-benzimidazol-5-yl-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 97398087

Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazol-5-yl-[(5S)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of 3H-benzimidazol-5-yl-[(5S)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone (CID 42197173) is 3H-benzimidazol-5-yl-[(5S)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for 3H-benzimidazol-5-yl-[(5S)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for 3H-benzimidazol-5-yl-[(5S)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone is O=C(c1ccc2nc[nH]c2c1)N1CC[C@]2(CCCN(CCC3CCCCC3)C2)C1.
What is the InChIKey of 3H-benzimidazol-5-yl-[(5S)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The InChIKey is FKBRQEJMMXZWPE-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H34N4O/c29-23(20-7-8-21-22(15-20)26-18-25-21)28-14-11-24(17-28)10-4-12-27(16-24)13-9-19-5-2-1-3-6-19/h7-8,15,18-19H,1-6,9-14,16-17H2,(H,25,26)/t24-/m0/s1.
What are the key properties of 3H-benzimidazol-5-yl-[(5S)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?
3H-benzimidazol-5-yl-[(5S)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone has a molecular weight of 394.56 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzimidazol-5-yl-[(5S)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 42197173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).