2-methoxybenzimidazolo[2,1-a]isoquinoline

C16H12N2O — CID 134847544

IUPAC2-methoxybenzimidazolo[2,1-a]isoquinoline
SMILESCOc1ccc2ccn3c4ccccc4nc3c2c1
InChIInChI=1S/C16H12N2O/c1-19-12-7-6-11-8-9-18-15-5-3-2-4-14(15)17-16(18)13(11)10-12/h2-10H,1H3
InChIKeyBTOSCOXKITZXKO-UHFFFAOYSA-N
MW248.29 g/mol
LogP3.65
Rot. Bonds1

About 2-methoxybenzimidazolo[2,1-a]isoquinoline

2-methoxybenzimidazolo[2,1-a]isoquinoline (PubChem CID 134847544) has the molecular formula C16H12N2O and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-methoxybenzimidazolo[2,1-a]isoquinoline.

Molecular Properties

Compound Name2-methoxybenzimidazolo[2,1-a]isoquinoline
PubChem CID134847544
Molecular FormulaC16H12N2O
Molecular Weight248.29 g/mol
Exact Mass248.09
IUPAC Name2-methoxybenzimidazolo[2,1-a]isoquinoline
SMILESCOc1ccc2ccn3c4ccccc4nc3c2c1
InChIInChI=1S/C16H12N2O/c1-19-12-7-6-11-8-9-18-15-5-3-2-4-14(15)17-16(18)13(11)10-12/h2-10H,1H3
InChIKeyBTOSCOXKITZXKO-UHFFFAOYSA-N
XLogP3.65
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzimidazolo[2,1-a]isoquinoline;ethane
CID 156745272
9-methoxy-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-3-amine
CID 18691101
3-(4-methoxyphenyl)pyrido[1,2-a]benzimidazole
CID 67300877
6-ethyl-9-methoxyindolo[3,2-b]quinoxaline
CID 945804
2-methoxybenzimidazolo[1,2-a]quinoline
CID 11521634
9-methoxyimidazo[2,1-a]isoquinoline-3-carboxylic acid
CID 115044613
1-(benzimidazol-1-yl)-7-methoxyisoquinoline
CID 106543716
6-benzyl-9-methoxyindolo[3,2-b]quinoxaline
CID 828074
9-methoxy-5-methylindolo[2,3-b]quinoxaline
CID 3983680
6-(4-methoxyphenyl)benzimidazolo[1,2-c]quinazoline
CID 12826322
3-tert-butylbenzimidazolo[2,1-f][1,6]naphthyridine
CID 70652136
3-(3-methoxyphenyl)pyrazino[1,2-a]benzimidazol-1-amine
CID 164609276

Frequently Asked Questions

What is the IUPAC name of 2-methoxybenzimidazolo[2,1-a]isoquinoline?
The IUPAC name of 2-methoxybenzimidazolo[2,1-a]isoquinoline (CID 134847544) is 2-methoxybenzimidazolo[2,1-a]isoquinoline.
What is the SMILES notation for 2-methoxybenzimidazolo[2,1-a]isoquinoline?
The canonical SMILES for 2-methoxybenzimidazolo[2,1-a]isoquinoline is COc1ccc2ccn3c4ccccc4nc3c2c1.
What is the InChIKey of 2-methoxybenzimidazolo[2,1-a]isoquinoline?
The InChIKey is BTOSCOXKITZXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O/c1-19-12-7-6-11-8-9-18-15-5-3-2-4-14(15)17-16(18)13(11)10-12/h2-10H,1H3.
What are the key properties of 2-methoxybenzimidazolo[2,1-a]isoquinoline?
2-methoxybenzimidazolo[2,1-a]isoquinoline has a molecular weight of 248.29 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxybenzimidazolo[2,1-a]isoquinoline is sourced from PubChem (CID 134847544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).