10-bromo-3-methylbenzimidazolo[1,2-b]isoquinoline

C16H11BrN2 — CID 163591158

IUPAC10-bromo-3-methylbenzimidazolo[1,2-b]isoquinoline
SMILESCc1ccc2c(c1)nc1cc3cccc(Br)c3cn12
InChIInChI=1S/C16H11BrN2/c1-10-5-6-15-14(7-10)18-16-8-11-3-2-4-13(17)12(11)9-19(15)16/h2-9H,1H3
InChIKeyGPQISPZPTQHNBB-UHFFFAOYSA-N
MW311.18 g/mol
LogP4.71
Rot. Bonds

About 10-bromo-3-methylbenzimidazolo[1,2-b]isoquinoline

10-bromo-3-methylbenzimidazolo[1,2-b]isoquinoline (PubChem CID 163591158) has the molecular formula C16H11BrN2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 10-bromo-3-methylbenzimidazolo[1,2-b]isoquinoline.

Molecular Properties

Compound Name10-bromo-3-methylbenzimidazolo[1,2-b]isoquinoline
PubChem CID163591158
Molecular FormulaC16H11BrN2
Molecular Weight311.18 g/mol
Exact Mass310.01
IUPAC Name10-bromo-3-methylbenzimidazolo[1,2-b]isoquinoline
SMILESCc1ccc2c(c1)nc1cc3cccc(Br)c3cn12
InChIInChI=1S/C16H11BrN2/c1-10-5-6-15-14(7-10)18-16-8-11-3-2-4-13(17)12(11)9-19(15)16/h2-9H,1H3
InChIKeyGPQISPZPTQHNBB-UHFFFAOYSA-N
XLogP4.71
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 107601483
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2-bromo-8-methylpyrido[2,1-b]quinazolin-11-one
CID 12562121
2-bromo-1-ethyl-5-methylbenzimidazole
CID 84799459
1-(2-bromo-6-fluorophenyl)-2-(1-chloroethyl)-5-methylbenzimidazole
CID 107601622
6-methyl-3H-imidazo[1,2-a]benzimidazole-2-carboxylic acid
CID 84622077
2-(5-bromonaphthalen-1-yl)-6-methyl-1H-benzimidazole
CID 91673788
5-methyl-1-piperidin-1-ylbenzimidazol-2-amine
CID 83019041
3,5-dibromoisoquinoline
CID 125180315
7-methyl-4-phenylpyrrolo[1,2-a]quinoxaline
CID 132523762
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CID 84804393

Frequently Asked Questions

What is the IUPAC name of 10-bromo-3-methylbenzimidazolo[1,2-b]isoquinoline?
The IUPAC name of 10-bromo-3-methylbenzimidazolo[1,2-b]isoquinoline (CID 163591158) is 10-bromo-3-methylbenzimidazolo[1,2-b]isoquinoline.
What is the SMILES notation for 10-bromo-3-methylbenzimidazolo[1,2-b]isoquinoline?
The canonical SMILES for 10-bromo-3-methylbenzimidazolo[1,2-b]isoquinoline is Cc1ccc2c(c1)nc1cc3cccc(Br)c3cn12.
What is the InChIKey of 10-bromo-3-methylbenzimidazolo[1,2-b]isoquinoline?
The InChIKey is GPQISPZPTQHNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2/c1-10-5-6-15-14(7-10)18-16-8-11-3-2-4-13(17)12(11)9-19(15)16/h2-9H,1H3.
What are the key properties of 10-bromo-3-methylbenzimidazolo[1,2-b]isoquinoline?
10-bromo-3-methylbenzimidazolo[1,2-b]isoquinoline has a molecular weight of 311.18 g/mol, XLogP of 4.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromo-3-methylbenzimidazolo[1,2-b]isoquinoline is sourced from PubChem (CID 163591158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).