2-[[(1-methylbenzimidazol-5-yl)amino]methyl]phenol

C15H15N3O — CID 829644

IUPAC2-[[(1-methylbenzimidazol-5-yl)amino]methyl]phenol
SMILESCn1cnc2cc(NCc3ccccc3O)ccc21
InChIInChI=1S/C15H15N3O/c1-18-10-17-13-8-12(6-7-14(13)18)16-9-11-4-2-3-5-15(11)19/h2-8,10,16,19H,9H2,1H3
InChIKeyUHNRFTCYJGXBEY-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.89
Rot. Bonds3

About 2-[[(1-methylbenzimidazol-5-yl)amino]methyl]phenol

2-[[(1-methylbenzimidazol-5-yl)amino]methyl]phenol (PubChem CID 829644) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-[[(1-methylbenzimidazol-5-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-[[(1-methylbenzimidazol-5-yl)amino]methyl]phenol
PubChem CID829644
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name2-[[(1-methylbenzimidazol-5-yl)amino]methyl]phenol
SMILESCn1cnc2cc(NCc3ccccc3O)ccc21
InChIInChI=1S/C15H15N3O/c1-18-10-17-13-8-12(6-7-14(13)18)16-9-11-4-2-3-5-15(11)19/h2-8,10,16,19H,9H2,1H3
InChIKeyUHNRFTCYJGXBEY-UHFFFAOYSA-N
XLogP2.89
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_alk_bim(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1-methylbenzimidazol-5-yl)amino]methyl]phenol?
The IUPAC name of 2-[[(1-methylbenzimidazol-5-yl)amino]methyl]phenol (CID 829644) is 2-[[(1-methylbenzimidazol-5-yl)amino]methyl]phenol.
What is the SMILES notation for 2-[[(1-methylbenzimidazol-5-yl)amino]methyl]phenol?
The canonical SMILES for 2-[[(1-methylbenzimidazol-5-yl)amino]methyl]phenol is Cn1cnc2cc(NCc3ccccc3O)ccc21.
What is the InChIKey of 2-[[(1-methylbenzimidazol-5-yl)amino]methyl]phenol?
The InChIKey is UHNRFTCYJGXBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-18-10-17-13-8-12(6-7-14(13)18)16-9-11-4-2-3-5-15(11)19/h2-8,10,16,19H,9H2,1H3.
What are the key properties of 2-[[(1-methylbenzimidazol-5-yl)amino]methyl]phenol?
2-[[(1-methylbenzimidazol-5-yl)amino]methyl]phenol has a molecular weight of 253.31 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-methylbenzimidazol-5-yl)amino]methyl]phenol is sourced from PubChem (CID 829644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).