1-(3-bromophenyl)naphtho[2,1-e]benzimidazole

C21H13BrN2 — CID 141442654

IUPAC1-(3-bromophenyl)naphtho[2,1-e]benzimidazole
SMILESBrc1cccc(-n2cnc3c4ccc5ccccc5c4ccc32)c1
InChIInChI=1S/C21H13BrN2/c22-15-5-3-6-16(12-15)24-13-23-21-19-9-8-14-4-1-2-7-17(14)18(19)10-11-20(21)24/h1-13H
InChIKeyGABOKKMAIYMZGR-UHFFFAOYSA-N
MW373.25 g/mol
LogP6.09
Rot. Bonds1

About 1-(3-bromophenyl)naphtho[2,1-e]benzimidazole

1-(3-bromophenyl)naphtho[2,1-e]benzimidazole (PubChem CID 141442654) has the molecular formula C21H13BrN2 and a molecular weight of 373.25 g/mol. Its IUPAC name is 1-(3-bromophenyl)naphtho[2,1-e]benzimidazole.

Molecular Properties

Compound Name1-(3-bromophenyl)naphtho[2,1-e]benzimidazole
PubChem CID141442654
Molecular FormulaC21H13BrN2
Molecular Weight373.25 g/mol
Exact Mass372.03
IUPAC Name1-(3-bromophenyl)naphtho[2,1-e]benzimidazole
SMILESBrc1cccc(-n2cnc3c4ccc5ccccc5c4ccc32)c1
InChIInChI=1S/C21H13BrN2/c22-15-5-3-6-16(12-15)24-13-23-21-19-9-8-14-4-1-2-7-17(14)18(19)10-11-20(21)24/h1-13H
InChIKeyGABOKKMAIYMZGR-UHFFFAOYSA-N
XLogP6.09
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.25
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromophenyl)benzo[g]indole
CID 134534382
[1-(3-bromophenyl)benzimidazol-5-yl]methanol
CID 54564593
1-(4-bromophenyl)-2-phenylnaphtho[2,1-e]benzimidazole
CID 141442655
5-(3-bromophenyl)-10-naphthalen-1-ylphenazine
CID 141487978
20-(3-bromophenyl)-17-(16-carbazol-9-yl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-20-yl)-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene
CID 172522364
1-(3-bromophenyl)benzimidazole-5-carboxylic acid;ethane
CID 143546276
1-[1-(3-bromophenyl)benzimidazol-5-yl]-1-deuterioethanol
CID 58349877
1H-benzimidazole;1-(3-bromophenyl)benzimidazole;1,3-dibromobenzene
CID 162220915
3-(3-bromophenyl)phenanthrene
CID 58194169
3-(3-bromophenyl)-4-oxoquinazoline-7-carbaldehyde
CID 156822225
13-(3-indol-1-ylphenyl)-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 151443133
6-bromobenzo[c]phenanthridine
CID 151634252

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)naphtho[2,1-e]benzimidazole?
The IUPAC name of 1-(3-bromophenyl)naphtho[2,1-e]benzimidazole (CID 141442654) is 1-(3-bromophenyl)naphtho[2,1-e]benzimidazole.
What is the SMILES notation for 1-(3-bromophenyl)naphtho[2,1-e]benzimidazole?
The canonical SMILES for 1-(3-bromophenyl)naphtho[2,1-e]benzimidazole is Brc1cccc(-n2cnc3c4ccc5ccccc5c4ccc32)c1.
What is the InChIKey of 1-(3-bromophenyl)naphtho[2,1-e]benzimidazole?
The InChIKey is GABOKKMAIYMZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13BrN2/c22-15-5-3-6-16(12-15)24-13-23-21-19-9-8-14-4-1-2-7-17(14)18(19)10-11-20(21)24/h1-13H.
What are the key properties of 1-(3-bromophenyl)naphtho[2,1-e]benzimidazole?
1-(3-bromophenyl)naphtho[2,1-e]benzimidazole has a molecular weight of 373.25 g/mol, XLogP of 6.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)naphtho[2,1-e]benzimidazole is sourced from PubChem (CID 141442654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).