9-(1-methylbenzimidazol-2-yl)pyrrolo[1,2-b]isoquinoline

C20H15N3 — CID 138616353

IUPAC9-(1-methylbenzimidazol-2-yl)pyrrolo[1,2-b]isoquinoline
SMILESCn1c(-c2cccc3cn4cccc4cc23)nc2ccccc21
InChIInChI=1S/C20H15N3/c1-22-19-10-3-2-9-18(19)21-20(22)16-8-4-6-14-13-23-11-5-7-15(23)12-17(14)16/h2-13H,1H3
InChIKeyOGMXQRDNDJFXBY-UHFFFAOYSA-N
MW297.36 g/mol
LogP4.65
Rot. Bonds1

About 9-(1-methylbenzimidazol-2-yl)pyrrolo[1,2-b]isoquinoline

9-(1-methylbenzimidazol-2-yl)pyrrolo[1,2-b]isoquinoline (PubChem CID 138616353) has the molecular formula C20H15N3 and a molecular weight of 297.36 g/mol. Its IUPAC name is 9-(1-methylbenzimidazol-2-yl)pyrrolo[1,2-b]isoquinoline.

Molecular Properties

Compound Name9-(1-methylbenzimidazol-2-yl)pyrrolo[1,2-b]isoquinoline
PubChem CID138616353
Molecular FormulaC20H15N3
Molecular Weight297.36 g/mol
Exact Mass297.13
IUPAC Name9-(1-methylbenzimidazol-2-yl)pyrrolo[1,2-b]isoquinoline
SMILESCn1c(-c2cccc3cn4cccc4cc23)nc2ccccc21
InChIInChI=1S/C20H15N3/c1-22-19-10-3-2-9-18(19)21-20(22)16-8-4-6-14-13-23-11-5-7-15(23)12-17(14)16/h2-13H,1H3
InChIKeyOGMXQRDNDJFXBY-UHFFFAOYSA-N
XLogP4.65
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
FK-739 free acid
CID 9801627
2,6-Diphenylimidazo[1,2-a]pyridine
CID 58880626
6-[3-(2,2-Difluoroethyl)-5-(6-methylpyridin-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine
CID 135233366
N-(2,6-Dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
CID 44422489
3-Imidazol-1-yl-quinoline
CID 12354256
3-Phenylimidazo(1,5-a)pyridine
CID 606670
Eapb-0203
CID 24779760
FK-739
CID 23668568
1-Methyl-2-pyridin-4-YL-1H-benzoimidazole
CID 786430
3,7-Diphenylimidazo[1,2-a]pyridine
CID 5329339
7-Phenyl-3-(pyridin-4-yl)imidazo[1,2-a]pyridine
CID 5329340

Frequently Asked Questions

What is the IUPAC name of 9-(1-methylbenzimidazol-2-yl)pyrrolo[1,2-b]isoquinoline?
The IUPAC name of 9-(1-methylbenzimidazol-2-yl)pyrrolo[1,2-b]isoquinoline (CID 138616353) is 9-(1-methylbenzimidazol-2-yl)pyrrolo[1,2-b]isoquinoline.
What is the SMILES notation for 9-(1-methylbenzimidazol-2-yl)pyrrolo[1,2-b]isoquinoline?
The canonical SMILES for 9-(1-methylbenzimidazol-2-yl)pyrrolo[1,2-b]isoquinoline is Cn1c(-c2cccc3cn4cccc4cc23)nc2ccccc21.
What is the InChIKey of 9-(1-methylbenzimidazol-2-yl)pyrrolo[1,2-b]isoquinoline?
The InChIKey is OGMXQRDNDJFXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3/c1-22-19-10-3-2-9-18(19)21-20(22)16-8-4-6-14-13-23-11-5-7-15(23)12-17(14)16/h2-13H,1H3.
What are the key properties of 9-(1-methylbenzimidazol-2-yl)pyrrolo[1,2-b]isoquinoline?
9-(1-methylbenzimidazol-2-yl)pyrrolo[1,2-b]isoquinoline has a molecular weight of 297.36 g/mol, XLogP of 4.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-methylbenzimidazol-2-yl)pyrrolo[1,2-b]isoquinoline is sourced from PubChem (CID 138616353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).