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

C21H16N6 — CID 11210341

IUPAC1-[6-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrazin-2-yl]benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2c(c1)ncn2-c1cncc(N[C@H]2CCc3ccccc32)n1
InChIInChI=1S/C21H16N6/c22-10-14-5-8-19-18(9-14)24-13-27(19)21-12-23-11-20(26-21)25-17-7-6-15-3-1-2-4-16(15)17/h1-5,8-9,11-13,17H,6-7H2,(H,25,26)/t17-/m0/s1
InChIKeyOYLPIXZFAXPBAS-KRWDZBQOSA-N
MW352.40 g/mol
LogP3.79
Rot. Bonds3

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

1-[6-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrazin-2-yl]benzimidazole-5-carbonitrile (PubChem CID 11210341) has the molecular formula C21H16N6 and a molecular weight of 352.40 g/mol. Its IUPAC name is 1-[6-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrazin-2-yl]benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name1-[6-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrazin-2-yl]benzimidazole-5-carbonitrile
PubChem CID11210341
Molecular FormulaC21H16N6
Molecular Weight352.40 g/mol
Exact Mass352.14
IUPAC Name1-[6-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrazin-2-yl]benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2c(c1)ncn2-c1cncc(N[C@H]2CCc3ccccc32)n1
InChIInChI=1S/C21H16N6/c22-10-14-5-8-19-18(9-14)24-13-27(19)21-12-23-11-20(26-21)25-17-7-6-15-3-1-2-4-16(15)17/h1-5,8-9,11-13,17H,6-7H2,(H,25,26)/t17-/m0/s1
InChIKeyOYLPIXZFAXPBAS-KRWDZBQOSA-N
XLogP3.79
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrazin-2-yl]benzimidazole-5-carbonitrile?
The IUPAC name of 1-[6-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrazin-2-yl]benzimidazole-5-carbonitrile (CID 11210341) is 1-[6-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrazin-2-yl]benzimidazole-5-carbonitrile.
What is the SMILES notation for 1-[6-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrazin-2-yl]benzimidazole-5-carbonitrile?
The canonical SMILES for 1-[6-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrazin-2-yl]benzimidazole-5-carbonitrile is N#Cc1ccc2c(c1)ncn2-c1cncc(N[C@H]2CCc3ccccc32)n1.
What is the InChIKey of 1-[6-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrazin-2-yl]benzimidazole-5-carbonitrile?
The InChIKey is OYLPIXZFAXPBAS-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H16N6/c22-10-14-5-8-19-18(9-14)24-13-27(19)21-12-23-11-20(26-21)25-17-7-6-15-3-1-2-4-16(15)17/h1-5,8-9,11-13,17H,6-7H2,(H,25,26)/t17-/m0/s1.
What are the key properties of 1-[6-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrazin-2-yl]benzimidazole-5-carbonitrile?
1-[6-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrazin-2-yl]benzimidazole-5-carbonitrile has a molecular weight of 352.40 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrazin-2-yl]benzimidazole-5-carbonitrile is sourced from PubChem (CID 11210341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).