2-(1-bromonaphthalen-2-yl)-4,7-dimethoxy-1H-benzimidazole

C19H15BrN2O2 — CID 101479528

IUPAC2-(1-bromonaphthalen-2-yl)-4,7-dimethoxy-1H-benzimidazole
SMILESCOc1ccc(OC)c2[nH]c(-c3ccc4ccccc4c3Br)nc12
InChIInChI=1S/C19H15BrN2O2/c1-23-14-9-10-15(24-2)18-17(14)21-19(22-18)13-8-7-11-5-3-4-6-12(11)16(13)20/h3-10H,1-2H3,(H,21,22)
InChIKeyFQJBQBSLLHJWAM-UHFFFAOYSA-N
MW383.25 g/mol
LogP5.16
Rot. Bonds3

About 2-(1-bromonaphthalen-2-yl)-4,7-dimethoxy-1H-benzimidazole

2-(1-bromonaphthalen-2-yl)-4,7-dimethoxy-1H-benzimidazole (PubChem CID 101479528) has the molecular formula C19H15BrN2O2 and a molecular weight of 383.25 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)-4,7-dimethoxy-1H-benzimidazole.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)-4,7-dimethoxy-1H-benzimidazole
PubChem CID101479528
Molecular FormulaC19H15BrN2O2
Molecular Weight383.25 g/mol
Exact Mass382.03
IUPAC Name2-(1-bromonaphthalen-2-yl)-4,7-dimethoxy-1H-benzimidazole
SMILESCOc1ccc(OC)c2[nH]c(-c3ccc4ccccc4c3Br)nc12
InChIInChI=1S/C19H15BrN2O2/c1-23-14-9-10-15(24-2)18-17(14)21-19(22-18)13-8-7-11-5-3-4-6-12(11)16(13)20/h3-10H,1-2H3,(H,21,22)
InChIKeyFQJBQBSLLHJWAM-UHFFFAOYSA-N
XLogP5.16
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.25
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-bromonaphthalen-2-yl)-1H-benzimidazole
CID 101479527
2-ethyl-4,7-dimethoxy-1H-benzimidazole
CID 67341831
2-(2-bromo-3,4-dimethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole
CID 110532927
2-methoxy-1-(2-methoxynaphthalen-1-yl)oxynaphthalene
CID 168858344
2-[3,5-bis(1-bromonaphthalen-2-yl)phenyl]-1-bromonaphthalene
CID 71484457
1-bromo-2-phenylnaphthalene
CID 10956972
2-(2-ethoxyphenyl)-8-methoxy-3H-quinazolin-4-one
CID 135966513
2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methoxyphenol
CID 135589912
methyl 7-methoxy-2-phenyl-1H-benzimidazole-4-carboxylate
CID 22663468
1-(2-bromonaphthalen-1-yl)-2-(2-methoxyphenyl)naphthalene
CID 72545963
5-(1-methoxynaphthalen-2-yl)-1H-pyrazole
CID 10376338
2-(2-methoxy-4-octadecoxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 10974012

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)-4,7-dimethoxy-1H-benzimidazole?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)-4,7-dimethoxy-1H-benzimidazole (CID 101479528) is 2-(1-bromonaphthalen-2-yl)-4,7-dimethoxy-1H-benzimidazole.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)-4,7-dimethoxy-1H-benzimidazole?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)-4,7-dimethoxy-1H-benzimidazole is COc1ccc(OC)c2[nH]c(-c3ccc4ccccc4c3Br)nc12.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)-4,7-dimethoxy-1H-benzimidazole?
The InChIKey is FQJBQBSLLHJWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2O2/c1-23-14-9-10-15(24-2)18-17(14)21-19(22-18)13-8-7-11-5-3-4-6-12(11)16(13)20/h3-10H,1-2H3,(H,21,22).
What are the key properties of 2-(1-bromonaphthalen-2-yl)-4,7-dimethoxy-1H-benzimidazole?
2-(1-bromonaphthalen-2-yl)-4,7-dimethoxy-1H-benzimidazole has a molecular weight of 383.25 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromonaphthalen-2-yl)-4,7-dimethoxy-1H-benzimidazole is sourced from PubChem (CID 101479528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).