4-bromo-2-[(1-ethylbenzimidazol-2-yl)iminomethyl]phenol

C16H14BrN3O — CID 3598665

IUPAC4-bromo-2-[(1-ethylbenzimidazol-2-yl)iminomethyl]phenol
SMILESCCn1c(N=Cc2cc(Br)ccc2O)nc2ccccc21
InChIInChI=1S/C16H14BrN3O/c1-2-20-14-6-4-3-5-13(14)19-16(20)18-10-11-9-12(17)7-8-15(11)21/h3-10,21H,2H2,1H3
InChIKeyKYDDWVBNORQETE-UHFFFAOYSA-N
MW344.21 g/mol
LogP4.27
Rot. Bonds3

About 4-bromo-2-[(1-ethylbenzimidazol-2-yl)iminomethyl]phenol

4-bromo-2-[(1-ethylbenzimidazol-2-yl)iminomethyl]phenol (PubChem CID 3598665) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is 4-bromo-2-[(1-ethylbenzimidazol-2-yl)iminomethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(1-ethylbenzimidazol-2-yl)iminomethyl]phenol
PubChem CID3598665
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC Name4-bromo-2-[(1-ethylbenzimidazol-2-yl)iminomethyl]phenol
SMILESCCn1c(N=Cc2cc(Br)ccc2O)nc2ccccc21
InChIInChI=1S/C16H14BrN3O/c1-2-20-14-6-4-3-5-13(14)19-16(20)18-10-11-9-12(17)7-8-15(11)21/h3-10,21H,2H2,1H3
InChIKeyKYDDWVBNORQETE-UHFFFAOYSA-N
XLogP4.27
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-[(E)-(1-butylbenzimidazol-2-yl)iminomethyl]phenol
CID 135641159
2-[(E)-(1-benzylbenzimidazol-2-yl)iminomethyl]-4-bromophenol
CID 135572140
6-bromo-1-[(E)-(1-heptylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol
CID 135606674
2-[(E)-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]iminomethyl]phenol
CID 135822358
2-[(E)-(1-hexadecylbenzimidazol-2-yl)iminomethyl]-4-methoxyphenol
CID 135549648
2-[(5,6-dibromo-1-ethylbenzimidazol-2-yl)iminomethyl]naphthalen-1-ol
CID 4117995
2-[(5,6-dibromo-1-ethylbenzimidazol-2-yl)iminomethyl]-5-methylphenol
CID 4105941
4-bromo-2-[[(1-ethylbenzimidazol-2-yl)amino]methyl]phenol
CID 787412
2-[(1-benzylbenzimidazol-2-yl)iminomethyl]-5-ethoxyphenol
CID 1218144
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 135717105
4-[(1-ethylbenzimidazol-2-yl)diazenyl]phenol
CID 3140422
1-[(1-benzylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol
CID 1215311

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(1-ethylbenzimidazol-2-yl)iminomethyl]phenol?
The IUPAC name of 4-bromo-2-[(1-ethylbenzimidazol-2-yl)iminomethyl]phenol (CID 3598665) is 4-bromo-2-[(1-ethylbenzimidazol-2-yl)iminomethyl]phenol.
What is the SMILES notation for 4-bromo-2-[(1-ethylbenzimidazol-2-yl)iminomethyl]phenol?
The canonical SMILES for 4-bromo-2-[(1-ethylbenzimidazol-2-yl)iminomethyl]phenol is CCn1c(N=Cc2cc(Br)ccc2O)nc2ccccc21.
What is the InChIKey of 4-bromo-2-[(1-ethylbenzimidazol-2-yl)iminomethyl]phenol?
The InChIKey is KYDDWVBNORQETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c1-2-20-14-6-4-3-5-13(14)19-16(20)18-10-11-9-12(17)7-8-15(11)21/h3-10,21H,2H2,1H3.
What are the key properties of 4-bromo-2-[(1-ethylbenzimidazol-2-yl)iminomethyl]phenol?
4-bromo-2-[(1-ethylbenzimidazol-2-yl)iminomethyl]phenol has a molecular weight of 344.21 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(1-ethylbenzimidazol-2-yl)iminomethyl]phenol is sourced from PubChem (CID 3598665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).