2-amino-5-(5-bromo-1-cyclopropylbenzimidazol-2-yl)phenol

C16H14BrN3O — CID 60837055

IUPAC2-amino-5-(5-bromo-1-cyclopropylbenzimidazol-2-yl)phenol
SMILESNc1ccc(-c2nc3cc(Br)ccc3n2C2CC2)cc1O
InChIInChI=1S/C16H14BrN3O/c17-10-2-6-14-13(8-10)19-16(20(14)11-3-4-11)9-1-5-12(18)15(21)7-9/h1-2,5-8,11,21H,3-4,18H2
InChIKeyZTKXIDVXGNSJLK-UHFFFAOYSA-N
MW344.21 g/mol
LogP4.09
Rot. Bonds2

About 2-amino-5-(5-bromo-1-cyclopropylbenzimidazol-2-yl)phenol

2-amino-5-(5-bromo-1-cyclopropylbenzimidazol-2-yl)phenol (PubChem CID 60837055) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is 2-amino-5-(5-bromo-1-cyclopropylbenzimidazol-2-yl)phenol.

Molecular Properties

Compound Name2-amino-5-(5-bromo-1-cyclopropylbenzimidazol-2-yl)phenol
PubChem CID60837055
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC Name2-amino-5-(5-bromo-1-cyclopropylbenzimidazol-2-yl)phenol
SMILESNc1ccc(-c2nc3cc(Br)ccc3n2C2CC2)cc1O
InChIInChI=1S/C16H14BrN3O/c17-10-2-6-14-13(8-10)19-16(20(14)11-3-4-11)9-1-5-12(18)15(21)7-9/h1-2,5-8,11,21H,3-4,18H2
InChIKeyZTKXIDVXGNSJLK-UHFFFAOYSA-N
XLogP4.09
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-methylphenol
CID 136751399
5-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-fluoroaniline
CID 60836884
3-(5-bromo-1-cyclopropylbenzimidazol-2-yl)aniline
CID 60783333
5-bromo-2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)aniline
CID 63494896
[4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)phenyl]methanamine
CID 60783970
4-bromo-2-(1-cyclopropyl-5-methylbenzimidazol-2-yl)aniline
CID 62073991
3-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-methylphenol
CID 82809543
2-bromo-5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)aniline
CID 107812783
5-bromo-2-[3-(chloromethyl)phenyl]-1-cyclopropylbenzimidazole
CID 60783497
2-bromo-4-(6-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 115473314
5-bromo-2-chloro-1-cyclopropylbenzimidazole
CID 83680821
4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 60785041

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(5-bromo-1-cyclopropylbenzimidazol-2-yl)phenol?
The IUPAC name of 2-amino-5-(5-bromo-1-cyclopropylbenzimidazol-2-yl)phenol (CID 60837055) is 2-amino-5-(5-bromo-1-cyclopropylbenzimidazol-2-yl)phenol.
What is the SMILES notation for 2-amino-5-(5-bromo-1-cyclopropylbenzimidazol-2-yl)phenol?
The canonical SMILES for 2-amino-5-(5-bromo-1-cyclopropylbenzimidazol-2-yl)phenol is Nc1ccc(-c2nc3cc(Br)ccc3n2C2CC2)cc1O.
What is the InChIKey of 2-amino-5-(5-bromo-1-cyclopropylbenzimidazol-2-yl)phenol?
The InChIKey is ZTKXIDVXGNSJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c17-10-2-6-14-13(8-10)19-16(20(14)11-3-4-11)9-1-5-12(18)15(21)7-9/h1-2,5-8,11,21H,3-4,18H2.
What are the key properties of 2-amino-5-(5-bromo-1-cyclopropylbenzimidazol-2-yl)phenol?
2-amino-5-(5-bromo-1-cyclopropylbenzimidazol-2-yl)phenol has a molecular weight of 344.21 g/mol, XLogP of 4.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(5-bromo-1-cyclopropylbenzimidazol-2-yl)phenol is sourced from PubChem (CID 60837055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).