2-[(4-chloronaphthalen-1-yl)oxymethyl]-6-methyl-1H-benzimidazole

C19H15ClN2O — CID 139950745

IUPAC2-[(4-chloronaphthalen-1-yl)oxymethyl]-6-methyl-1H-benzimidazole
SMILESCc1ccc2nc(COc3ccc(Cl)c4ccccc34)[nH]c2c1
InChIInChI=1S/C19H15ClN2O/c1-12-6-8-16-17(10-12)22-19(21-16)11-23-18-9-7-15(20)13-4-2-3-5-14(13)18/h2-10H,11H2,1H3,(H,21,22)
InChIKeyCLSBLXBTTGSTFV-UHFFFAOYSA-N
MW322.80 g/mol
LogP5.26
Rot. Bonds3

About 2-[(4-chloronaphthalen-1-yl)oxymethyl]-6-methyl-1H-benzimidazole

2-[(4-chloronaphthalen-1-yl)oxymethyl]-6-methyl-1H-benzimidazole (PubChem CID 139950745) has the molecular formula C19H15ClN2O and a molecular weight of 322.80 g/mol. Its IUPAC name is 2-[(4-chloronaphthalen-1-yl)oxymethyl]-6-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[(4-chloronaphthalen-1-yl)oxymethyl]-6-methyl-1H-benzimidazole
PubChem CID139950745
Molecular FormulaC19H15ClN2O
Molecular Weight322.80 g/mol
Exact Mass322.09
IUPAC Name2-[(4-chloronaphthalen-1-yl)oxymethyl]-6-methyl-1H-benzimidazole
SMILESCc1ccc2nc(COc3ccc(Cl)c4ccccc34)[nH]c2c1
InChIInChI=1S/C19H15ClN2O/c1-12-6-8-16-17(10-12)22-19(21-16)11-23-18-9-7-15(20)13-4-2-3-5-14(13)18/h2-10H,11H2,1H3,(H,21,22)
InChIKeyCLSBLXBTTGSTFV-UHFFFAOYSA-N
XLogP5.26
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.80
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloronaphthalen-1-yl)oxymethyl]-6-methyl-1H-benzimidazole?
The IUPAC name of 2-[(4-chloronaphthalen-1-yl)oxymethyl]-6-methyl-1H-benzimidazole (CID 139950745) is 2-[(4-chloronaphthalen-1-yl)oxymethyl]-6-methyl-1H-benzimidazole.
What is the SMILES notation for 2-[(4-chloronaphthalen-1-yl)oxymethyl]-6-methyl-1H-benzimidazole?
The canonical SMILES for 2-[(4-chloronaphthalen-1-yl)oxymethyl]-6-methyl-1H-benzimidazole is Cc1ccc2nc(COc3ccc(Cl)c4ccccc34)[nH]c2c1.
What is the InChIKey of 2-[(4-chloronaphthalen-1-yl)oxymethyl]-6-methyl-1H-benzimidazole?
The InChIKey is CLSBLXBTTGSTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O/c1-12-6-8-16-17(10-12)22-19(21-16)11-23-18-9-7-15(20)13-4-2-3-5-14(13)18/h2-10H,11H2,1H3,(H,21,22).
What are the key properties of 2-[(4-chloronaphthalen-1-yl)oxymethyl]-6-methyl-1H-benzimidazole?
2-[(4-chloronaphthalen-1-yl)oxymethyl]-6-methyl-1H-benzimidazole has a molecular weight of 322.80 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloronaphthalen-1-yl)oxymethyl]-6-methyl-1H-benzimidazole is sourced from PubChem (CID 139950745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).