6-[2-(3-methylphenyl)-3-pyridinyl]-1H-benzimidazole

C19H15N3 — CID 90095154

IUPAC6-[2-(3-methylphenyl)-3-pyridinyl]-1H-benzimidazole
SMILESCc1cccc(-c2ncccc2-c2ccc3nc[nH]c3c2)c1
InChIInChI=1S/C19H15N3/c1-13-4-2-5-15(10-13)19-16(6-3-9-20-19)14-7-8-17-18(11-14)22-12-21-17/h2-12H,1H3,(H,21,22)
InChIKeyBXKHGRGFTQBMHL-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.60
Rot. Bonds2

About 6-[2-(3-methylphenyl)-3-pyridinyl]-1H-benzimidazole

6-[2-(3-methylphenyl)-3-pyridinyl]-1H-benzimidazole (PubChem CID 90095154) has the molecular formula C19H15N3 and a molecular weight of 285.35 g/mol. Its IUPAC name is 6-[2-(3-methylphenyl)-3-pyridinyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-[2-(3-methylphenyl)-3-pyridinyl]-1H-benzimidazole
PubChem CID90095154
Molecular FormulaC19H15N3
Molecular Weight285.35 g/mol
Exact Mass285.13
IUPAC Name6-[2-(3-methylphenyl)-3-pyridinyl]-1H-benzimidazole
SMILESCc1cccc(-c2ncccc2-c2ccc3nc[nH]c3c2)c1
InChIInChI=1S/C19H15N3/c1-13-4-2-5-15(10-13)19-16(6-3-9-20-19)14-7-8-17-18(11-14)22-12-21-17/h2-12H,1H3,(H,21,22)
InChIKeyBXKHGRGFTQBMHL-UHFFFAOYSA-N
XLogP4.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-methylphenyl)-3-pyridinyl]-1H-benzimidazole?
The IUPAC name of 6-[2-(3-methylphenyl)-3-pyridinyl]-1H-benzimidazole (CID 90095154) is 6-[2-(3-methylphenyl)-3-pyridinyl]-1H-benzimidazole.
What is the SMILES notation for 6-[2-(3-methylphenyl)-3-pyridinyl]-1H-benzimidazole?
The canonical SMILES for 6-[2-(3-methylphenyl)-3-pyridinyl]-1H-benzimidazole is Cc1cccc(-c2ncccc2-c2ccc3nc[nH]c3c2)c1.
What is the InChIKey of 6-[2-(3-methylphenyl)-3-pyridinyl]-1H-benzimidazole?
The InChIKey is BXKHGRGFTQBMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3/c1-13-4-2-5-15(10-13)19-16(6-3-9-20-19)14-7-8-17-18(11-14)22-12-21-17/h2-12H,1H3,(H,21,22).
What are the key properties of 6-[2-(3-methylphenyl)-3-pyridinyl]-1H-benzimidazole?
6-[2-(3-methylphenyl)-3-pyridinyl]-1H-benzimidazole has a molecular weight of 285.35 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-methylphenyl)-3-pyridinyl]-1H-benzimidazole is sourced from PubChem (CID 90095154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).