6-butyl-9,10-dichlorobenzimidazolo[2,1-a]isoquinoline

C19H16Cl2N2 — CID 71560513

IUPAC6-butyl-9,10-dichlorobenzimidazolo[2,1-a]isoquinoline
SMILESCCCCc1cc2ccccc2c2nc3cc(Cl)c(Cl)cc3n12
InChIInChI=1S/C19H16Cl2N2/c1-2-3-7-13-9-12-6-4-5-8-14(12)19-22-17-10-15(20)16(21)11-18(17)23(13)19/h4-6,8-11H,2-3,7H2,1H3
InChIKeyYLVRZOJEOFXQON-UHFFFAOYSA-N
MW343.26 g/mol
LogP6.29
Rot. Bonds3

About 6-butyl-9,10-dichlorobenzimidazolo[2,1-a]isoquinoline

6-butyl-9,10-dichlorobenzimidazolo[2,1-a]isoquinoline (PubChem CID 71560513) has the molecular formula C19H16Cl2N2 and a molecular weight of 343.26 g/mol. Its IUPAC name is 6-butyl-9,10-dichlorobenzimidazolo[2,1-a]isoquinoline.

Molecular Properties

Compound Name6-butyl-9,10-dichlorobenzimidazolo[2,1-a]isoquinoline
PubChem CID71560513
Molecular FormulaC19H16Cl2N2
Molecular Weight343.26 g/mol
Exact Mass342.07
IUPAC Name6-butyl-9,10-dichlorobenzimidazolo[2,1-a]isoquinoline
SMILESCCCCc1cc2ccccc2c2nc3cc(Cl)c(Cl)cc3n12
InChIInChI=1S/C19H16Cl2N2/c1-2-3-7-13-9-12-6-4-5-8-14(12)19-22-17-10-15(20)16(21)11-18(17)23(13)19/h4-6,8-11H,2-3,7H2,1H3
InChIKeyYLVRZOJEOFXQON-UHFFFAOYSA-N
XLogP6.29
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.26
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 6-amino-9,10-dichlorobenzimidazolo[2,1-a]isoquinoline-5-carboxylate
CID 53342291
1-chloronaphthalene;pentane
CID 19360859
2-(2-butyl-5,6-dichlorobenzimidazol-1-yl)propan-1-amine
CID 82145993
9,10-dimethyl-6-(2,4,6-trimethylphenyl)benzimidazolo[2,1-a]isoquinoline
CID 58517849
2-butyl-1-methylpyrrolo[2,3-b]pyridine
CID 142666149
2-(2-butyl-5,6-dichlorobenzimidazol-1-yl)ethanethioamide
CID 39158125
2-amino-5-butylpyrazolo[5,1-a]isoquinoline-1-carbonitrile
CID 139190722
1-chloro-3-propylisoquinoline
CID 119093749
4-chloro-2-decylquinoline
CID 171487257
4-(2-butyl-5,6-dichlorobenzimidazol-1-yl)butanenitrile
CID 94757417
2-butyl-1-(4-methoxyphenyl)pyrrolo[3,2-b]quinoxaline
CID 102458937
2-butyl-1-nitroindole
CID 19754323

Frequently Asked Questions

What is the IUPAC name of 6-butyl-9,10-dichlorobenzimidazolo[2,1-a]isoquinoline?
The IUPAC name of 6-butyl-9,10-dichlorobenzimidazolo[2,1-a]isoquinoline (CID 71560513) is 6-butyl-9,10-dichlorobenzimidazolo[2,1-a]isoquinoline.
What is the SMILES notation for 6-butyl-9,10-dichlorobenzimidazolo[2,1-a]isoquinoline?
The canonical SMILES for 6-butyl-9,10-dichlorobenzimidazolo[2,1-a]isoquinoline is CCCCc1cc2ccccc2c2nc3cc(Cl)c(Cl)cc3n12.
What is the InChIKey of 6-butyl-9,10-dichlorobenzimidazolo[2,1-a]isoquinoline?
The InChIKey is YLVRZOJEOFXQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2/c1-2-3-7-13-9-12-6-4-5-8-14(12)19-22-17-10-15(20)16(21)11-18(17)23(13)19/h4-6,8-11H,2-3,7H2,1H3.
What are the key properties of 6-butyl-9,10-dichlorobenzimidazolo[2,1-a]isoquinoline?
6-butyl-9,10-dichlorobenzimidazolo[2,1-a]isoquinoline has a molecular weight of 343.26 g/mol, XLogP of 6.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-9,10-dichlorobenzimidazolo[2,1-a]isoquinoline is sourced from PubChem (CID 71560513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).