3-[6-[(5-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrazin-2-yl]benzimidazole-5-carbonitrile

C22H18N6O — CID 11315056

IUPAC3-[6-[(5-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrazin-2-yl]benzimidazole-5-carbonitrile
SMILESCOc1ccc2c(c1)CCC2Nc1cncc(-n2cnc3ccc(C#N)cc32)n1
InChIInChI=1S/C22H18N6O/c1-29-16-4-5-17-15(9-16)3-7-18(17)26-21-11-24-12-22(27-21)28-13-25-19-6-2-14(10-23)8-20(19)28/h2,4-6,8-9,11-13,18H,3,7H2,1H3,(H,26,27)
InChIKeyAUBJWLLUCNLXIN-UHFFFAOYSA-N
MW382.43 g/mol
LogP3.80
Rot. Bonds4

About 3-[6-[(5-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrazin-2-yl]benzimidazole-5-carbonitrile

3-[6-[(5-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrazin-2-yl]benzimidazole-5-carbonitrile (PubChem CID 11315056) has the molecular formula C22H18N6O and a molecular weight of 382.43 g/mol. Its IUPAC name is 3-[6-[(5-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrazin-2-yl]benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name3-[6-[(5-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrazin-2-yl]benzimidazole-5-carbonitrile
PubChem CID11315056
Molecular FormulaC22H18N6O
Molecular Weight382.43 g/mol
Exact Mass382.15
IUPAC Name3-[6-[(5-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrazin-2-yl]benzimidazole-5-carbonitrile
SMILESCOc1ccc2c(c1)CCC2Nc1cncc(-n2cnc3ccc(C#N)cc32)n1
InChIInChI=1S/C22H18N6O/c1-29-16-4-5-17-15(9-16)3-7-18(17)26-21-11-24-12-22(27-21)28-13-25-19-6-2-14(10-23)8-20(19)28/h2,4-6,8-9,11-13,18H,3,7H2,1H3,(H,26,27)
InChIKeyAUBJWLLUCNLXIN-UHFFFAOYSA-N
XLogP3.80
TPSA88.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[(5-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrazin-2-yl]benzimidazole-5-carbonitrile?
The IUPAC name of 3-[6-[(5-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrazin-2-yl]benzimidazole-5-carbonitrile (CID 11315056) is 3-[6-[(5-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrazin-2-yl]benzimidazole-5-carbonitrile.
What is the SMILES notation for 3-[6-[(5-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrazin-2-yl]benzimidazole-5-carbonitrile?
The canonical SMILES for 3-[6-[(5-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrazin-2-yl]benzimidazole-5-carbonitrile is COc1ccc2c(c1)CCC2Nc1cncc(-n2cnc3ccc(C#N)cc32)n1.
What is the InChIKey of 3-[6-[(5-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrazin-2-yl]benzimidazole-5-carbonitrile?
The InChIKey is AUBJWLLUCNLXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O/c1-29-16-4-5-17-15(9-16)3-7-18(17)26-21-11-24-12-22(27-21)28-13-25-19-6-2-14(10-23)8-20(19)28/h2,4-6,8-9,11-13,18H,3,7H2,1H3,(H,26,27).
What are the key properties of 3-[6-[(5-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrazin-2-yl]benzimidazole-5-carbonitrile?
3-[6-[(5-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrazin-2-yl]benzimidazole-5-carbonitrile has a molecular weight of 382.43 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(5-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrazin-2-yl]benzimidazole-5-carbonitrile is sourced from PubChem (CID 11315056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).