5-(1H-benzimidazol-2-yl)-3,3-dimethyl-1H-indol-2-one;ethane

C23H33N3O — CID 90864973

IUPAC5-(1H-benzimidazol-2-yl)-3,3-dimethyl-1H-indol-2-one;ethane
SMILESCC.CC.CC.CC1(C)C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc21
InChIInChI=1S/C17H15N3O.3C2H6/c1-17(2)11-9-10(7-8-12(11)20-16(17)21)15-18-13-5-3-4-6-14(13)19-15;3*1-2/h3-9H,1-2H3,(H,18,19)(H,20,21);3*1-2H3
InChIKeyFKPSSSOTUWUBJQ-UHFFFAOYSA-N
MW367.54 g/mol
LogP6.54
Rot. Bonds1

About 5-(1H-benzimidazol-2-yl)-3,3-dimethyl-1H-indol-2-one;ethane

5-(1H-benzimidazol-2-yl)-3,3-dimethyl-1H-indol-2-one;ethane (PubChem CID 90864973) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is 5-(1H-benzimidazol-2-yl)-3,3-dimethyl-1H-indol-2-one;ethane.

Molecular Properties

Compound Name5-(1H-benzimidazol-2-yl)-3,3-dimethyl-1H-indol-2-one;ethane
PubChem CID90864973
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC Name5-(1H-benzimidazol-2-yl)-3,3-dimethyl-1H-indol-2-one;ethane
SMILESCC.CC.CC.CC1(C)C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc21
InChIInChI=1S/C17H15N3O.3C2H6/c1-17(2)11-9-10(7-8-12(11)20-16(17)21)15-18-13-5-3-4-6-14(13)19-15;3*1-2/h3-9H,1-2H3,(H,18,19)(H,20,21);3*1-2H3
InChIKeyFKPSSSOTUWUBJQ-UHFFFAOYSA-N
XLogP6.54
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.54
LogP ≤ 56.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[6-(1H-benzimidazol-2-yl)-4-[4-[3,5-bis(1H-benzimidazol-2-yl)phenyl]phenyl]-2-pyridinyl]-1H-benzimidazole
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4-(1H-benzimidazol-2-yl)-N,N-dimethylaniline;ethane
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Frequently Asked Questions

What is the IUPAC name of 5-(1H-benzimidazol-2-yl)-3,3-dimethyl-1H-indol-2-one;ethane?
The IUPAC name of 5-(1H-benzimidazol-2-yl)-3,3-dimethyl-1H-indol-2-one;ethane (CID 90864973) is 5-(1H-benzimidazol-2-yl)-3,3-dimethyl-1H-indol-2-one;ethane.
What is the SMILES notation for 5-(1H-benzimidazol-2-yl)-3,3-dimethyl-1H-indol-2-one;ethane?
The canonical SMILES for 5-(1H-benzimidazol-2-yl)-3,3-dimethyl-1H-indol-2-one;ethane is CC.CC.CC.CC1(C)C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc21.
What is the InChIKey of 5-(1H-benzimidazol-2-yl)-3,3-dimethyl-1H-indol-2-one;ethane?
The InChIKey is FKPSSSOTUWUBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O.3C2H6/c1-17(2)11-9-10(7-8-12(11)20-16(17)21)15-18-13-5-3-4-6-14(13)19-15;3*1-2/h3-9H,1-2H3,(H,18,19)(H,20,21);3*1-2H3.
What are the key properties of 5-(1H-benzimidazol-2-yl)-3,3-dimethyl-1H-indol-2-one;ethane?
5-(1H-benzimidazol-2-yl)-3,3-dimethyl-1H-indol-2-one;ethane has a molecular weight of 367.54 g/mol, XLogP of 6.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-benzimidazol-2-yl)-3,3-dimethyl-1H-indol-2-one;ethane is sourced from PubChem (CID 90864973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).