5-(1H-benzimidazol-2-yl)-8-methylquinoline

C17H13N3 — CID 168554319

IUPAC5-(1H-benzimidazol-2-yl)-8-methylquinoline
SMILESCc1ccc(-c2nc3ccccc3[nH]2)c2cccnc12
InChIInChI=1S/C17H13N3/c1-11-8-9-13(12-5-4-10-18-16(11)12)17-19-14-6-2-3-7-15(14)20-17/h2-10H,1H3,(H,19,20)
InChIKeySGYNCVVYZWZXBC-UHFFFAOYSA-N
MW259.31 g/mol
LogP4.09
Rot. Bonds1

About 5-(1H-benzimidazol-2-yl)-8-methylquinoline

5-(1H-benzimidazol-2-yl)-8-methylquinoline (PubChem CID 168554319) has the molecular formula C17H13N3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-(1H-benzimidazol-2-yl)-8-methylquinoline.

Molecular Properties

Compound Name5-(1H-benzimidazol-2-yl)-8-methylquinoline
PubChem CID168554319
Molecular FormulaC17H13N3
Molecular Weight259.31 g/mol
Exact Mass259.11
IUPAC Name5-(1H-benzimidazol-2-yl)-8-methylquinoline
SMILESCc1ccc(-c2nc3ccccc3[nH]2)c2cccnc12
InChIInChI=1S/C17H13N3/c1-11-8-9-13(12-5-4-10-18-16(11)12)17-19-14-6-2-3-7-15(14)20-17/h2-10H,1H3,(H,19,20)
InChIKeySGYNCVVYZWZXBC-UHFFFAOYSA-N
XLogP4.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-benzimidazol-2-yl)-8-methylquinoline?
The IUPAC name of 5-(1H-benzimidazol-2-yl)-8-methylquinoline (CID 168554319) is 5-(1H-benzimidazol-2-yl)-8-methylquinoline.
What is the SMILES notation for 5-(1H-benzimidazol-2-yl)-8-methylquinoline?
The canonical SMILES for 5-(1H-benzimidazol-2-yl)-8-methylquinoline is Cc1ccc(-c2nc3ccccc3[nH]2)c2cccnc12.
What is the InChIKey of 5-(1H-benzimidazol-2-yl)-8-methylquinoline?
The InChIKey is SGYNCVVYZWZXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3/c1-11-8-9-13(12-5-4-10-18-16(11)12)17-19-14-6-2-3-7-15(14)20-17/h2-10H,1H3,(H,19,20).
What are the key properties of 5-(1H-benzimidazol-2-yl)-8-methylquinoline?
5-(1H-benzimidazol-2-yl)-8-methylquinoline has a molecular weight of 259.31 g/mol, XLogP of 4.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-benzimidazol-2-yl)-8-methylquinoline is sourced from PubChem (CID 168554319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).