CID 121235374

C12H9N2 — CID 121235374

IUPAC—
SMILES[CH]1[CH][CH][C](c2nc3ccccc3[nH]2)[CH]1
InChIInChI=1S/C12H9N2/c1-2-6-9(5-1)12-13-10-7-3-4-8-11(10)14-12/h1-8H,(H,13,14)
InChIKeyVLHRWDOIOKWSFV-UHFFFAOYSA-N
MW181.22 g/mol
LogP2.32
Rot. Bonds1

About CID 121235374

CID 121235374 (PubChem CID 121235374) has the molecular formula C12H9N2 and a molecular weight of 181.22 g/mol.

Molecular Properties

Compound NameCID 121235374
PubChem CID121235374
Molecular FormulaC12H9N2
Molecular Weight181.22 g/mol
Exact Mass181.08
IUPAC Name—
SMILES[CH]1[CH][CH][C](c2nc3ccccc3[nH]2)[CH]1
InChIInChI=1S/C12H9N2/c1-2-6-9(5-1)12-13-10-7-3-4-8-11(10)14-12/h1-8H,(H,13,14)
InChIKeyVLHRWDOIOKWSFV-UHFFFAOYSA-N
XLogP2.32
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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azane;2-phenyl-1H-benzimidazole
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zinc;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;dichloride
CID 16721057
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CID 102200427
5-(1H-benzimidazol-2-yl)pyrimidine-2,4-diamine
CID 102284104
bis(2-(1H-benzimidazol-2-yl)phenolate);cobalt(2+)
CID 139068471
copper bis(2-(1H-benzimidazol-2-yl)phenolate)
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2-(1H-benzimidazol-2-yl)quinoline
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Frequently Asked Questions

What is the IUPAC name of CID 121235374?
The IUPAC name of CID 121235374 (CID 121235374) is not available.
What is the SMILES notation for CID 121235374?
The canonical SMILES for CID 121235374 is [CH]1[CH][CH][C](c2nc3ccccc3[nH]2)[CH]1.
What is the InChIKey of CID 121235374?
The InChIKey is VLHRWDOIOKWSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N2/c1-2-6-9(5-1)12-13-10-7-3-4-8-11(10)14-12/h1-8H,(H,13,14).
What are the key properties of CID 121235374?
CID 121235374 has a molecular weight of 181.22 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 121235374 is sourced from PubChem (CID 121235374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).