2-amino-5-(1-methylbenzimidazol-2-yl)phenol

C14H13N3O — CID 60835038

IUPAC2-amino-5-(1-methylbenzimidazol-2-yl)phenol
SMILESCn1c(-c2ccc(N)c(O)c2)nc2ccccc21
InChIInChI=1S/C14H13N3O/c1-17-12-5-3-2-4-11(12)16-14(17)9-6-7-10(15)13(18)8-9/h2-8,18H,15H2,1H3
InChIKeyXDDRHERXCCJETN-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.53
Rot. Bonds1

About 2-amino-5-(1-methylbenzimidazol-2-yl)phenol

2-amino-5-(1-methylbenzimidazol-2-yl)phenol (PubChem CID 60835038) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-amino-5-(1-methylbenzimidazol-2-yl)phenol.

Molecular Properties

Compound Name2-amino-5-(1-methylbenzimidazol-2-yl)phenol
PubChem CID60835038
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-amino-5-(1-methylbenzimidazol-2-yl)phenol
SMILESCn1c(-c2ccc(N)c(O)c2)nc2ccccc21
InChIInChI=1S/C14H13N3O/c1-17-12-5-3-2-4-11(12)16-14(17)9-6-7-10(15)13(18)8-9/h2-8,18H,15H2,1H3
InChIKeyXDDRHERXCCJETN-UHFFFAOYSA-N
XLogP2.53
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.53
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(1-methylbenzimidazol-2-yl)phenol?
The IUPAC name of 2-amino-5-(1-methylbenzimidazol-2-yl)phenol (CID 60835038) is 2-amino-5-(1-methylbenzimidazol-2-yl)phenol.
What is the SMILES notation for 2-amino-5-(1-methylbenzimidazol-2-yl)phenol?
The canonical SMILES for 2-amino-5-(1-methylbenzimidazol-2-yl)phenol is Cn1c(-c2ccc(N)c(O)c2)nc2ccccc21.
What is the InChIKey of 2-amino-5-(1-methylbenzimidazol-2-yl)phenol?
The InChIKey is XDDRHERXCCJETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-17-12-5-3-2-4-11(12)16-14(17)9-6-7-10(15)13(18)8-9/h2-8,18H,15H2,1H3.
What are the key properties of 2-amino-5-(1-methylbenzimidazol-2-yl)phenol?
2-amino-5-(1-methylbenzimidazol-2-yl)phenol has a molecular weight of 239.28 g/mol, XLogP of 2.53, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(1-methylbenzimidazol-2-yl)phenol is sourced from PubChem (CID 60835038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).