6-bromo-4-methyl-2-naphthalen-2-yl-1H-benzimidazole

C18H13BrN2 — CID 104574503

IUPAC6-bromo-4-methyl-2-naphthalen-2-yl-1H-benzimidazole
SMILESCc1cc(Br)cc2[nH]c(-c3ccc4ccccc4c3)nc12
InChIInChI=1S/C18H13BrN2/c1-11-8-15(19)10-16-17(11)21-18(20-16)14-7-6-12-4-2-3-5-13(12)9-14/h2-10H,1H3,(H,20,21)
InChIKeyZHHHDQOMJFLMKF-UHFFFAOYSA-N
MW337.22 g/mol
LogP5.45
Rot. Bonds1

About 6-bromo-4-methyl-2-naphthalen-2-yl-1H-benzimidazole

6-bromo-4-methyl-2-naphthalen-2-yl-1H-benzimidazole (PubChem CID 104574503) has the molecular formula C18H13BrN2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 6-bromo-4-methyl-2-naphthalen-2-yl-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-4-methyl-2-naphthalen-2-yl-1H-benzimidazole
PubChem CID104574503
Molecular FormulaC18H13BrN2
Molecular Weight337.22 g/mol
Exact Mass336.03
IUPAC Name6-bromo-4-methyl-2-naphthalen-2-yl-1H-benzimidazole
SMILESCc1cc(Br)cc2[nH]c(-c3ccc4ccccc4c3)nc12
InChIInChI=1S/C18H13BrN2/c1-11-8-15(19)10-16-17(11)21-18(20-16)14-7-6-12-4-2-3-5-13(12)9-14/h2-10H,1H3,(H,20,21)
InChIKeyZHHHDQOMJFLMKF-UHFFFAOYSA-N
XLogP5.45
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.22
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-2-methylphenol
CID 136751466
2-bromo-5-(6-bromo-4-methyl-1H-benzimidazol-2-yl)aniline
CID 107812850
6-bromo-2-(4-bromo-3-fluorophenyl)-4-methyl-1H-benzimidazole
CID 104574555
6-bromo-2-(3,4-dimethoxyphenyl)-4-methyl-1H-benzimidazole
CID 104574626
6-bromo-2-[3-(chloromethyl)phenyl]-4-methyl-1H-benzimidazole
CID 113428428
5-(6-bromo-4-methyl-1H-benzimidazol-2-yl)pyridin-2-amine
CID 104574243
6-bromo-2-(5-bromo-3-pyridinyl)-4-methyl-1H-benzimidazole
CID 104574633
6-bromo-2-(2-chlorophenyl)-4-methyl-1H-benzimidazole
CID 104574445
6-bromo-2-(3-bromo-5-chlorophenyl)-4-methyl-1H-benzimidazole
CID 107939548
6-bromo-2-naphthalen-2-yl-1H-imidazo[4,5-b]pyridine
CID 23025864
6-bromo-4-methyl-2-(3-methyl-2-pyridinyl)-1H-benzimidazole
CID 113428441
2-(3,4-dichlorophenyl)-4,6-dimethyl-1H-benzimidazole
CID 56773183

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-methyl-2-naphthalen-2-yl-1H-benzimidazole?
The IUPAC name of 6-bromo-4-methyl-2-naphthalen-2-yl-1H-benzimidazole (CID 104574503) is 6-bromo-4-methyl-2-naphthalen-2-yl-1H-benzimidazole.
What is the SMILES notation for 6-bromo-4-methyl-2-naphthalen-2-yl-1H-benzimidazole?
The canonical SMILES for 6-bromo-4-methyl-2-naphthalen-2-yl-1H-benzimidazole is Cc1cc(Br)cc2[nH]c(-c3ccc4ccccc4c3)nc12.
What is the InChIKey of 6-bromo-4-methyl-2-naphthalen-2-yl-1H-benzimidazole?
The InChIKey is ZHHHDQOMJFLMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN2/c1-11-8-15(19)10-16-17(11)21-18(20-16)14-7-6-12-4-2-3-5-13(12)9-14/h2-10H,1H3,(H,20,21).
What are the key properties of 6-bromo-4-methyl-2-naphthalen-2-yl-1H-benzimidazole?
6-bromo-4-methyl-2-naphthalen-2-yl-1H-benzimidazole has a molecular weight of 337.22 g/mol, XLogP of 5.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-methyl-2-naphthalen-2-yl-1H-benzimidazole is sourced from PubChem (CID 104574503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).