3H-benzimidazol-5-yl-(2,3-diphenyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone

C27H26N4O — CID 59686161

IUPAC3H-benzimidazol-5-yl-(2,3-diphenyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
SMILESO=C(c1ccc2nc[nH]c2c1)N1CCC2(CC1)CN(c1ccccc1)C2c1ccccc1
InChIInChI=1S/C27H26N4O/c32-26(21-11-12-23-24(17-21)29-19-28-23)30-15-13-27(14-16-30)18-31(22-9-5-2-6-10-22)25(27)20-7-3-1-4-8-20/h1-12,17,19,25H,13-16,18H2,(H,28,29)
InChIKeyYURCMFRNARNAOF-UHFFFAOYSA-N
MW422.53 g/mol
LogP5.05
Rot. Bonds3

About 3H-benzimidazol-5-yl-(2,3-diphenyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone

3H-benzimidazol-5-yl-(2,3-diphenyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone (PubChem CID 59686161) has the molecular formula C27H26N4O and a molecular weight of 422.53 g/mol. Its IUPAC name is 3H-benzimidazol-5-yl-(2,3-diphenyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone.

Molecular Properties

Compound Name3H-benzimidazol-5-yl-(2,3-diphenyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
PubChem CID59686161
Molecular FormulaC27H26N4O
Molecular Weight422.53 g/mol
Exact Mass422.21
IUPAC Name3H-benzimidazol-5-yl-(2,3-diphenyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
SMILESO=C(c1ccc2nc[nH]c2c1)N1CCC2(CC1)CN(c1ccccc1)C2c1ccccc1
InChIInChI=1S/C27H26N4O/c32-26(21-11-12-23-24(17-21)29-19-28-23)30-15-13-27(14-16-30)18-31(22-9-5-2-6-10-22)25(27)20-7-3-1-4-8-20/h1-12,17,19,25H,13-16,18H2,(H,28,29)
InChIKeyYURCMFRNARNAOF-UHFFFAOYSA-N
XLogP5.05
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3H-benzimidazol-5-yl-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]methanone
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3H-benzimidazol-5-yl-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
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3H-benzimidazol-5-yl-(4,4-dimethylazepan-1-yl)methanone
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1-(3H-benzimidazole-5-carbonyl)piperidin-4-one
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3H-benzimidazol-5-yl-(4-methylpiperazin-1-yl)methanone
CID 18847527
3H-benzimidazol-5-yl-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone
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3H-benzimidazol-5-yl(spiro[indene-1,4'-piperidine]-1'-yl)methanone
CID 11580728
3H-benzimidazol-5-yl-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90586479
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CID 37092543
1-[4-(3H-benzimidazole-5-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 60712264
1-(3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 63007156
1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 38453817

Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazol-5-yl-(2,3-diphenyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone?
The IUPAC name of 3H-benzimidazol-5-yl-(2,3-diphenyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone (CID 59686161) is 3H-benzimidazol-5-yl-(2,3-diphenyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone.
What is the SMILES notation for 3H-benzimidazol-5-yl-(2,3-diphenyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone?
The canonical SMILES for 3H-benzimidazol-5-yl-(2,3-diphenyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone is O=C(c1ccc2nc[nH]c2c1)N1CCC2(CC1)CN(c1ccccc1)C2c1ccccc1.
What is the InChIKey of 3H-benzimidazol-5-yl-(2,3-diphenyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone?
The InChIKey is YURCMFRNARNAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O/c32-26(21-11-12-23-24(17-21)29-19-28-23)30-15-13-27(14-16-30)18-31(22-9-5-2-6-10-22)25(27)20-7-3-1-4-8-20/h1-12,17,19,25H,13-16,18H2,(H,28,29).
What are the key properties of 3H-benzimidazol-5-yl-(2,3-diphenyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone?
3H-benzimidazol-5-yl-(2,3-diphenyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone has a molecular weight of 422.53 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzimidazol-5-yl-(2,3-diphenyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone is sourced from PubChem (CID 59686161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).