6-(3-methylphenyl)benzimidazolo[2,1-a]isoquinoline

C22H16N2 — CID 138980951

IUPAC6-(3-methylphenyl)benzimidazolo[2,1-a]isoquinoline
SMILESCc1cccc(-c2cc3ccccc3c3nc4ccccc4n23)c1
InChIInChI=1S/C22H16N2/c1-15-7-6-9-17(13-15)21-14-16-8-2-3-10-18(16)22-23-19-11-4-5-12-20(19)24(21)22/h2-14H,1H3
InChIKeyRGHLGQXRPVNIPM-UHFFFAOYSA-N
MW308.38 g/mol
LogP5.62
Rot. Bonds1

About 6-(3-methylphenyl)benzimidazolo[2,1-a]isoquinoline

6-(3-methylphenyl)benzimidazolo[2,1-a]isoquinoline (PubChem CID 138980951) has the molecular formula C22H16N2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 6-(3-methylphenyl)benzimidazolo[2,1-a]isoquinoline.

Molecular Properties

Compound Name6-(3-methylphenyl)benzimidazolo[2,1-a]isoquinoline
PubChem CID138980951
Molecular FormulaC22H16N2
Molecular Weight308.38 g/mol
Exact Mass308.13
IUPAC Name6-(3-methylphenyl)benzimidazolo[2,1-a]isoquinoline
SMILESCc1cccc(-c2cc3ccccc3c3nc4ccccc4n23)c1
InChIInChI=1S/C22H16N2/c1-15-7-6-9-17(13-15)21-14-16-8-2-3-10-18(16)22-23-19-11-4-5-12-20(19)24(21)22/h2-14H,1H3
InChIKeyRGHLGQXRPVNIPM-UHFFFAOYSA-N
XLogP5.62
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.38
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-[3-[3,5-bis[3-(benzimidazolo[1,2-c]quinazolin-6-yl)phenyl]phenyl]phenyl]benzimidazolo[1,2-c]quinazoline
CID 58894944
6-phenylbenzimidazolo[2,1-a]isoquinoline-3-carbonitrile
CID 71560265
ethane;4-methyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 145358346
9,10-dimethyl-6-(2,4,6-trimethylphenyl)benzimidazolo[2,1-a]isoquinoline
CID 58517849
6-(3,5-diphenylphenyl)benzimidazolo[1,2-c]quinazoline
CID 70652103
6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzimidazolo[1,2-c]quinazoline
CID 58894937
5-[4-(benzimidazolo[2,1-a]isoquinolin-6-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 90086732
10-(11-phenyltetracen-5-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 58037765
10-naphthalen-1-yl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 58038272
5-methyl-2-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 123753360
6-(3-methylphenyl)indolo[1,2-a]quinoline
CID 71507366
4-(3-methylphenyl)benzimidazolo[2,1-b][1,3]benzoxazole
CID 134409482

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylphenyl)benzimidazolo[2,1-a]isoquinoline?
The IUPAC name of 6-(3-methylphenyl)benzimidazolo[2,1-a]isoquinoline (CID 138980951) is 6-(3-methylphenyl)benzimidazolo[2,1-a]isoquinoline.
What is the SMILES notation for 6-(3-methylphenyl)benzimidazolo[2,1-a]isoquinoline?
The canonical SMILES for 6-(3-methylphenyl)benzimidazolo[2,1-a]isoquinoline is Cc1cccc(-c2cc3ccccc3c3nc4ccccc4n23)c1.
What is the InChIKey of 6-(3-methylphenyl)benzimidazolo[2,1-a]isoquinoline?
The InChIKey is RGHLGQXRPVNIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2/c1-15-7-6-9-17(13-15)21-14-16-8-2-3-10-18(16)22-23-19-11-4-5-12-20(19)24(21)22/h2-14H,1H3.
What are the key properties of 6-(3-methylphenyl)benzimidazolo[2,1-a]isoquinoline?
6-(3-methylphenyl)benzimidazolo[2,1-a]isoquinoline has a molecular weight of 308.38 g/mol, XLogP of 5.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylphenyl)benzimidazolo[2,1-a]isoquinoline is sourced from PubChem (CID 138980951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).