1H-benzimidazole;2H-benzotriazole;1H-indole;pyridine

C26H23N7 — CID 160919323

IUPAC1H-benzimidazole;2H-benzotriazole;1H-indole;pyridine
SMILESc1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2n[nH]nc2c1.c1ccncc1
InChIInChI=1S/C8H7N.C7H6N2.C6H5N3.C5H5N/c1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5(3-1)7-9-8-6;1-2-4-6-5-3-1/h1-6,9H;1-5H,(H,8,9);1-4H,(H,7,8,9);1-5H
InChIKeySRVACNLCLAZORF-UHFFFAOYSA-N
MW433.52 g/mol
LogP5.77
Rot. Bonds

About 1H-benzimidazole;2H-benzotriazole;1H-indole;pyridine

1H-benzimidazole;2H-benzotriazole;1H-indole;pyridine (PubChem CID 160919323) has the molecular formula C26H23N7 and a molecular weight of 433.52 g/mol. Its IUPAC name is 1H-benzimidazole;2H-benzotriazole;1H-indole;pyridine.

Molecular Properties

Compound Name1H-benzimidazole;2H-benzotriazole;1H-indole;pyridine
PubChem CID160919323
Molecular FormulaC26H23N7
Molecular Weight433.52 g/mol
Exact Mass433.20
IUPAC Name1H-benzimidazole;2H-benzotriazole;1H-indole;pyridine
SMILESc1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2n[nH]nc2c1.c1ccncc1
InChIInChI=1S/C8H7N.C7H6N2.C6H5N3.C5H5N/c1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5(3-1)7-9-8-6;1-2-4-6-5-3-1/h1-6,9H;1-5H,(H,8,9);1-4H,(H,7,8,9);1-5H
InChIKeySRVACNLCLAZORF-UHFFFAOYSA-N
XLogP5.77
TPSA98.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.52
LogP ≤ 55.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;2H-benzotriazole;1H-indole;pyridine?
The IUPAC name of 1H-benzimidazole;2H-benzotriazole;1H-indole;pyridine (CID 160919323) is 1H-benzimidazole;2H-benzotriazole;1H-indole;pyridine.
What is the SMILES notation for 1H-benzimidazole;2H-benzotriazole;1H-indole;pyridine?
The canonical SMILES for 1H-benzimidazole;2H-benzotriazole;1H-indole;pyridine is c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2n[nH]nc2c1.c1ccncc1.
What is the InChIKey of 1H-benzimidazole;2H-benzotriazole;1H-indole;pyridine?
The InChIKey is SRVACNLCLAZORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.C7H6N2.C6H5N3.C5H5N/c1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5(3-1)7-9-8-6;1-2-4-6-5-3-1/h1-6,9H;1-5H,(H,8,9);1-4H,(H,7,8,9);1-5H.
What are the key properties of 1H-benzimidazole;2H-benzotriazole;1H-indole;pyridine?
1H-benzimidazole;2H-benzotriazole;1H-indole;pyridine has a molecular weight of 433.52 g/mol, XLogP of 5.77, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole;2H-benzotriazole;1H-indole;pyridine is sourced from PubChem (CID 160919323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).