2-naphthalen-1-yl-1H-benzimidazole-4-carbonitrile

C18H11N3 — CID 104720555

IUPAC2-naphthalen-1-yl-1H-benzimidazole-4-carbonitrile
SMILESN#Cc1cccc2[nH]c(-c3cccc4ccccc34)nc12
InChIInChI=1S/C18H11N3/c19-11-13-7-4-10-16-17(13)21-18(20-16)15-9-3-6-12-5-1-2-8-14(12)15/h1-10H,(H,20,21)
InChIKeyOPNWFZOWLSFYQF-UHFFFAOYSA-N
MW269.31 g/mol
LogP4.25
Rot. Bonds1

About 2-naphthalen-1-yl-1H-benzimidazole-4-carbonitrile

2-naphthalen-1-yl-1H-benzimidazole-4-carbonitrile (PubChem CID 104720555) has the molecular formula C18H11N3 and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-naphthalen-1-yl-1H-benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-naphthalen-1-yl-1H-benzimidazole-4-carbonitrile
PubChem CID104720555
Molecular FormulaC18H11N3
Molecular Weight269.31 g/mol
Exact Mass269.10
IUPAC Name2-naphthalen-1-yl-1H-benzimidazole-4-carbonitrile
SMILESN#Cc1cccc2[nH]c(-c3cccc4ccccc34)nc12
InChIInChI=1S/C18H11N3/c19-11-13-7-4-10-16-17(13)21-18(20-16)15-9-3-6-12-5-1-2-8-14(12)15/h1-10H,(H,20,21)
InChIKeyOPNWFZOWLSFYQF-UHFFFAOYSA-N
XLogP4.25
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-1H-benzimidazole-4-carbonitrile?
The IUPAC name of 2-naphthalen-1-yl-1H-benzimidazole-4-carbonitrile (CID 104720555) is 2-naphthalen-1-yl-1H-benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-naphthalen-1-yl-1H-benzimidazole-4-carbonitrile?
The canonical SMILES for 2-naphthalen-1-yl-1H-benzimidazole-4-carbonitrile is N#Cc1cccc2[nH]c(-c3cccc4ccccc34)nc12.
What is the InChIKey of 2-naphthalen-1-yl-1H-benzimidazole-4-carbonitrile?
The InChIKey is OPNWFZOWLSFYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N3/c19-11-13-7-4-10-16-17(13)21-18(20-16)15-9-3-6-12-5-1-2-8-14(12)15/h1-10H,(H,20,21).
What are the key properties of 2-naphthalen-1-yl-1H-benzimidazole-4-carbonitrile?
2-naphthalen-1-yl-1H-benzimidazole-4-carbonitrile has a molecular weight of 269.31 g/mol, XLogP of 4.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-1H-benzimidazole-4-carbonitrile is sourced from PubChem (CID 104720555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).