2-[(5,6-dibromo-1-ethylbenzimidazol-2-yl)iminomethyl]naphthalen-1-ol

C20H15Br2N3O — CID 4117995

IUPAC2-[(5,6-dibromo-1-ethylbenzimidazol-2-yl)iminomethyl]naphthalen-1-ol
SMILESCCn1c(N=Cc2ccc3ccccc3c2O)nc2cc(Br)c(Br)cc21
InChIInChI=1S/C20H15Br2N3O/c1-2-25-18-10-16(22)15(21)9-17(18)24-20(25)23-11-13-8-7-12-5-3-4-6-14(12)19(13)26/h3-11,26H,2H2,1H3
InChIKeySBHIKISGRSCZEW-UHFFFAOYSA-N
MW473.17 g/mol
LogP6.19
Rot. Bonds3

About 2-[(5,6-dibromo-1-ethylbenzimidazol-2-yl)iminomethyl]naphthalen-1-ol

2-[(5,6-dibromo-1-ethylbenzimidazol-2-yl)iminomethyl]naphthalen-1-ol (PubChem CID 4117995) has the molecular formula C20H15Br2N3O and a molecular weight of 473.17 g/mol. Its IUPAC name is 2-[(5,6-dibromo-1-ethylbenzimidazol-2-yl)iminomethyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[(5,6-dibromo-1-ethylbenzimidazol-2-yl)iminomethyl]naphthalen-1-ol
PubChem CID4117995
Molecular FormulaC20H15Br2N3O
Molecular Weight473.17 g/mol
Exact Mass470.96
IUPAC Name2-[(5,6-dibromo-1-ethylbenzimidazol-2-yl)iminomethyl]naphthalen-1-ol
SMILESCCn1c(N=Cc2ccc3ccccc3c2O)nc2cc(Br)c(Br)cc21
InChIInChI=1S/C20H15Br2N3O/c1-2-25-18-10-16(22)15(21)9-17(18)24-20(25)23-11-13-8-7-12-5-3-4-6-14(12)19(13)26/h3-11,26H,2H2,1H3
InChIKeySBHIKISGRSCZEW-UHFFFAOYSA-N
XLogP6.19
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.17
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dibromo-1-ethylbenzimidazol-2-yl)iminomethyl]naphthalen-1-ol?
The IUPAC name of 2-[(5,6-dibromo-1-ethylbenzimidazol-2-yl)iminomethyl]naphthalen-1-ol (CID 4117995) is 2-[(5,6-dibromo-1-ethylbenzimidazol-2-yl)iminomethyl]naphthalen-1-ol.
What is the SMILES notation for 2-[(5,6-dibromo-1-ethylbenzimidazol-2-yl)iminomethyl]naphthalen-1-ol?
The canonical SMILES for 2-[(5,6-dibromo-1-ethylbenzimidazol-2-yl)iminomethyl]naphthalen-1-ol is CCn1c(N=Cc2ccc3ccccc3c2O)nc2cc(Br)c(Br)cc21.
What is the InChIKey of 2-[(5,6-dibromo-1-ethylbenzimidazol-2-yl)iminomethyl]naphthalen-1-ol?
The InChIKey is SBHIKISGRSCZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Br2N3O/c1-2-25-18-10-16(22)15(21)9-17(18)24-20(25)23-11-13-8-7-12-5-3-4-6-14(12)19(13)26/h3-11,26H,2H2,1H3.
What are the key properties of 2-[(5,6-dibromo-1-ethylbenzimidazol-2-yl)iminomethyl]naphthalen-1-ol?
2-[(5,6-dibromo-1-ethylbenzimidazol-2-yl)iminomethyl]naphthalen-1-ol has a molecular weight of 473.17 g/mol, XLogP of 6.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dibromo-1-ethylbenzimidazol-2-yl)iminomethyl]naphthalen-1-ol is sourced from PubChem (CID 4117995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).