2-(5-chloronaphthalen-1-yl)-5,6-dimethyl-1H-benzimidazole

C19H15ClN2 — CID 56737110

IUPAC2-(5-chloronaphthalen-1-yl)-5,6-dimethyl-1H-benzimidazole
SMILESCc1cc2nc(-c3cccc4c(Cl)cccc34)[nH]c2cc1C
InChIInChI=1S/C19H15ClN2/c1-11-9-17-18(10-12(11)2)22-19(21-17)15-7-3-6-14-13(15)5-4-8-16(14)20/h3-10H,1-2H3,(H,21,22)
InChIKeyIOLVWHHAJZGARS-UHFFFAOYSA-N
MW306.80 g/mol
LogP5.65
Rot. Bonds1

About 2-(5-chloronaphthalen-1-yl)-5,6-dimethyl-1H-benzimidazole

2-(5-chloronaphthalen-1-yl)-5,6-dimethyl-1H-benzimidazole (PubChem CID 56737110) has the molecular formula C19H15ClN2 and a molecular weight of 306.80 g/mol. Its IUPAC name is 2-(5-chloronaphthalen-1-yl)-5,6-dimethyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(5-chloronaphthalen-1-yl)-5,6-dimethyl-1H-benzimidazole
PubChem CID56737110
Molecular FormulaC19H15ClN2
Molecular Weight306.80 g/mol
Exact Mass306.09
IUPAC Name2-(5-chloronaphthalen-1-yl)-5,6-dimethyl-1H-benzimidazole
SMILESCc1cc2nc(-c3cccc4c(Cl)cccc34)[nH]c2cc1C
InChIInChI=1S/C19H15ClN2/c1-11-9-17-18(10-12(11)2)22-19(21-17)15-7-3-6-14-13(15)5-4-8-16(14)20/h3-10H,1-2H3,(H,21,22)
InChIKeyIOLVWHHAJZGARS-UHFFFAOYSA-N
XLogP5.65
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.80
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloronaphthalen-1-yl)-5,6-dimethyl-1H-benzimidazole?
The IUPAC name of 2-(5-chloronaphthalen-1-yl)-5,6-dimethyl-1H-benzimidazole (CID 56737110) is 2-(5-chloronaphthalen-1-yl)-5,6-dimethyl-1H-benzimidazole.
What is the SMILES notation for 2-(5-chloronaphthalen-1-yl)-5,6-dimethyl-1H-benzimidazole?
The canonical SMILES for 2-(5-chloronaphthalen-1-yl)-5,6-dimethyl-1H-benzimidazole is Cc1cc2nc(-c3cccc4c(Cl)cccc34)[nH]c2cc1C.
What is the InChIKey of 2-(5-chloronaphthalen-1-yl)-5,6-dimethyl-1H-benzimidazole?
The InChIKey is IOLVWHHAJZGARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2/c1-11-9-17-18(10-12(11)2)22-19(21-17)15-7-3-6-14-13(15)5-4-8-16(14)20/h3-10H,1-2H3,(H,21,22).
What are the key properties of 2-(5-chloronaphthalen-1-yl)-5,6-dimethyl-1H-benzimidazole?
2-(5-chloronaphthalen-1-yl)-5,6-dimethyl-1H-benzimidazole has a molecular weight of 306.80 g/mol, XLogP of 5.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloronaphthalen-1-yl)-5,6-dimethyl-1H-benzimidazole is sourced from PubChem (CID 56737110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).