4-[6-(benzimidazol-1-ylmethyl)naphthalen-2-yl]-2-methoxybenzonitrile

C26H19N3O — CID 118894043

IUPAC4-[6-(benzimidazol-1-ylmethyl)naphthalen-2-yl]-2-methoxybenzonitrile
SMILESCOc1cc(-c2ccc3cc(Cn4cnc5ccccc54)ccc3c2)ccc1C#N
InChIInChI=1S/C26H19N3O/c1-30-26-14-22(10-11-23(26)15-27)21-9-8-19-12-18(6-7-20(19)13-21)16-29-17-28-24-4-2-3-5-25(24)29/h2-14,17H,16H2,1H3
InChIKeyQCCSAKAJPJVLRP-UHFFFAOYSA-N
MW389.46 g/mol
LogP5.79
Rot. Bonds4

About 4-[6-(benzimidazol-1-ylmethyl)naphthalen-2-yl]-2-methoxybenzonitrile

4-[6-(benzimidazol-1-ylmethyl)naphthalen-2-yl]-2-methoxybenzonitrile (PubChem CID 118894043) has the molecular formula C26H19N3O and a molecular weight of 389.46 g/mol. Its IUPAC name is 4-[6-(benzimidazol-1-ylmethyl)naphthalen-2-yl]-2-methoxybenzonitrile.

Molecular Properties

Compound Name4-[6-(benzimidazol-1-ylmethyl)naphthalen-2-yl]-2-methoxybenzonitrile
PubChem CID118894043
Molecular FormulaC26H19N3O
Molecular Weight389.46 g/mol
Exact Mass389.15
IUPAC Name4-[6-(benzimidazol-1-ylmethyl)naphthalen-2-yl]-2-methoxybenzonitrile
SMILESCOc1cc(-c2ccc3cc(Cn4cnc5ccccc54)ccc3c2)ccc1C#N
InChIInChI=1S/C26H19N3O/c1-30-26-14-22(10-11-23(26)15-27)21-9-8-19-12-18(6-7-20(19)13-21)16-29-17-28-24-4-2-3-5-25(24)29/h2-14,17H,16H2,1H3
InChIKeyQCCSAKAJPJVLRP-UHFFFAOYSA-N
XLogP5.79
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.46
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(benzimidazol-1-ylmethyl)naphthalen-2-yl]-2-methoxybenzonitrile?
The IUPAC name of 4-[6-(benzimidazol-1-ylmethyl)naphthalen-2-yl]-2-methoxybenzonitrile (CID 118894043) is 4-[6-(benzimidazol-1-ylmethyl)naphthalen-2-yl]-2-methoxybenzonitrile.
What is the SMILES notation for 4-[6-(benzimidazol-1-ylmethyl)naphthalen-2-yl]-2-methoxybenzonitrile?
The canonical SMILES for 4-[6-(benzimidazol-1-ylmethyl)naphthalen-2-yl]-2-methoxybenzonitrile is COc1cc(-c2ccc3cc(Cn4cnc5ccccc54)ccc3c2)ccc1C#N.
What is the InChIKey of 4-[6-(benzimidazol-1-ylmethyl)naphthalen-2-yl]-2-methoxybenzonitrile?
The InChIKey is QCCSAKAJPJVLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O/c1-30-26-14-22(10-11-23(26)15-27)21-9-8-19-12-18(6-7-20(19)13-21)16-29-17-28-24-4-2-3-5-25(24)29/h2-14,17H,16H2,1H3.
What are the key properties of 4-[6-(benzimidazol-1-ylmethyl)naphthalen-2-yl]-2-methoxybenzonitrile?
4-[6-(benzimidazol-1-ylmethyl)naphthalen-2-yl]-2-methoxybenzonitrile has a molecular weight of 389.46 g/mol, XLogP of 5.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(benzimidazol-1-ylmethyl)naphthalen-2-yl]-2-methoxybenzonitrile is sourced from PubChem (CID 118894043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).