2,7-di(propan-2-yl)-10H-indolo[1,2-a]benzimidazole-11-carbonitrile

C21H21N3 — CID 102334117

IUPAC2,7-di(propan-2-yl)-10H-indolo[1,2-a]benzimidazole-11-carbonitrile
SMILESCC(C)c1ccc2c(c1)c(C#N)c1[nH]c3ccc(C(C)C)cc3n12
InChIInChI=1S/C21H21N3/c1-12(2)14-6-8-19-16(9-14)17(11-22)21-23-18-7-5-15(13(3)4)10-20(18)24(19)21/h5-10,12-13,23H,1-4H3
InChIKeyTYCCBCKUZUUFGV-UHFFFAOYSA-N
MW315.42 g/mol
LogP5.69
Rot. Bonds2

About 2,7-di(propan-2-yl)-10H-indolo[1,2-a]benzimidazole-11-carbonitrile

2,7-di(propan-2-yl)-10H-indolo[1,2-a]benzimidazole-11-carbonitrile (PubChem CID 102334117) has the molecular formula C21H21N3 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2,7-di(propan-2-yl)-10H-indolo[1,2-a]benzimidazole-11-carbonitrile.

Molecular Properties

Compound Name2,7-di(propan-2-yl)-10H-indolo[1,2-a]benzimidazole-11-carbonitrile
PubChem CID102334117
Molecular FormulaC21H21N3
Molecular Weight315.42 g/mol
Exact Mass315.17
IUPAC Name2,7-di(propan-2-yl)-10H-indolo[1,2-a]benzimidazole-11-carbonitrile
SMILESCC(C)c1ccc2c(c1)c(C#N)c1[nH]c3ccc(C(C)C)cc3n12
InChIInChI=1S/C21H21N3/c1-12(2)14-6-8-19-16(9-14)17(11-22)21-23-18-7-5-15(13(3)4)10-20(18)24(19)21/h5-10,12-13,23H,1-4H3
InChIKeyTYCCBCKUZUUFGV-UHFFFAOYSA-N
XLogP5.69
TPSA43.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.42
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7-di(propan-2-yl)-10H-indolo[1,2-a]benzimidazole-11-carbonitrile?
The IUPAC name of 2,7-di(propan-2-yl)-10H-indolo[1,2-a]benzimidazole-11-carbonitrile (CID 102334117) is 2,7-di(propan-2-yl)-10H-indolo[1,2-a]benzimidazole-11-carbonitrile.
What is the SMILES notation for 2,7-di(propan-2-yl)-10H-indolo[1,2-a]benzimidazole-11-carbonitrile?
The canonical SMILES for 2,7-di(propan-2-yl)-10H-indolo[1,2-a]benzimidazole-11-carbonitrile is CC(C)c1ccc2c(c1)c(C#N)c1[nH]c3ccc(C(C)C)cc3n12.
What is the InChIKey of 2,7-di(propan-2-yl)-10H-indolo[1,2-a]benzimidazole-11-carbonitrile?
The InChIKey is TYCCBCKUZUUFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3/c1-12(2)14-6-8-19-16(9-14)17(11-22)21-23-18-7-5-15(13(3)4)10-20(18)24(19)21/h5-10,12-13,23H,1-4H3.
What are the key properties of 2,7-di(propan-2-yl)-10H-indolo[1,2-a]benzimidazole-11-carbonitrile?
2,7-di(propan-2-yl)-10H-indolo[1,2-a]benzimidazole-11-carbonitrile has a molecular weight of 315.42 g/mol, XLogP of 5.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-di(propan-2-yl)-10H-indolo[1,2-a]benzimidazole-11-carbonitrile is sourced from PubChem (CID 102334117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).