5-Methoxy-2-[[(1-methyl-2-benzimidazolyl)amino]methyl]phenol

C16H17N3O2 — CID 787426

IUPAC5-methoxy-2-[[(1-methylbenzimidazol-2-yl)amino]methyl]phenol
SMILESCN1C2=CC=CC=C2N=C1NCC3=C(C=C(C=C3)OC)O
InChIInChI=1S/C16H17N3O2/c1-19-14-6-4-3-5-13(14)18-16(19)17-10-11-7-8-12(21-2)9-15(11)20/h3-9,20H,10H2,1-2H3,(H,17,18)
InChIKeyRSTMPUDLQGLADR-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.90
Rot. Bonds4

About 5-Methoxy-2-[[(1-methyl-2-benzimidazolyl)amino]methyl]phenol

5-Methoxy-2-[[(1-methyl-2-benzimidazolyl)amino]methyl]phenol (PubChem CID 787426) has the molecular formula C16H17N3O2 and a molecular weight of 283.32 g/mol. Its IUPAC name is 5-methoxy-2-[[(1-methylbenzimidazol-2-yl)amino]methyl]phenol.

Molecular Properties

Compound Name5-Methoxy-2-[[(1-methyl-2-benzimidazolyl)amino]methyl]phenol
PubChem CID787426
Molecular FormulaC16H17N3O2
Molecular Weight283.32 g/mol
Exact Mass283.13
IUPAC Name5-methoxy-2-[[(1-methylbenzimidazol-2-yl)amino]methyl]phenol
SMILESCN1C2=CC=CC=C2N=C1NCC3=C(C=C(C=C3)OC)O
InChIInChI=1S/C16H17N3O2/c1-19-14-6-4-3-5-13(14)18-16(19)17-10-11-7-8-12(21-2)9-15(11)20/h3-9,20H,10H2,1-2H3,(H,17,18)
InChIKeyRSTMPUDLQGLADR-UHFFFAOYSA-N
XLogP2.90
TPSA59.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity341

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Metodesnitazene
CID 26412
4-methyl-2-{[(1-propyl-1H-benzimidazol-2-yl)amino]methyl}phenol
CID 715143
Pyrimido(1,2-a)benzimidazole, 1,4-dihydro-4-(4-methoxyphenyl)-2-methyl-
CID 3074967
N-(2-methoxybenzyl)-1-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-amine
CID 662454
2-Methoxy-6-[[(1-methylbenzimidazol-2-yl)amino]methyl]phenol
CID 715201
[1-[(2-Methoxyphenyl)methyl]benzimidazol-2-yl]methanol
CID 755585
1-Ethyl-2-(4-methoxy-benzyl)-1H-benzoimidazole
CID 962281
N-(4-ethoxybenzyl)-1-methyl-1H-benzimidazol-2-amine
CID 1090103
2-[[(1-Prop-2-enylbenzimidazol-2-yl)amino]methyl]phenol
CID 890291
4-Methyl-2-[[(1-propan-2-ylbenzimidazol-2-yl)amino]methyl]phenol
CID 930436
1-((2-Methoxyphenyl)methyl)-2-methyl-1H-benzimidazole
CID 940002
(1-Ethyl-1H-benzoimidazol-2-yl)-(4-methoxy-benzyl)-amine
CID 1087008

Frequently Asked Questions

What is the IUPAC name of 5-Methoxy-2-[[(1-methyl-2-benzimidazolyl)amino]methyl]phenol?
The IUPAC name of 5-Methoxy-2-[[(1-methyl-2-benzimidazolyl)amino]methyl]phenol (CID 787426) is 5-methoxy-2-[[(1-methylbenzimidazol-2-yl)amino]methyl]phenol.
What is the SMILES notation for 5-Methoxy-2-[[(1-methyl-2-benzimidazolyl)amino]methyl]phenol?
The canonical SMILES for 5-Methoxy-2-[[(1-methyl-2-benzimidazolyl)amino]methyl]phenol is CN1C2=CC=CC=C2N=C1NCC3=C(C=C(C=C3)OC)O.
What is the InChIKey of 5-Methoxy-2-[[(1-methyl-2-benzimidazolyl)amino]methyl]phenol?
The InChIKey is RSTMPUDLQGLADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-19-14-6-4-3-5-13(14)18-16(19)17-10-11-7-8-12(21-2)9-15(11)20/h3-9,20H,10H2,1-2H3,(H,17,18).
What are the key properties of 5-Methoxy-2-[[(1-methyl-2-benzimidazolyl)amino]methyl]phenol?
5-Methoxy-2-[[(1-methyl-2-benzimidazolyl)amino]methyl]phenol has a molecular weight of 283.32 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-Methoxy-2-[[(1-methyl-2-benzimidazolyl)amino]methyl]phenol is sourced from PubChem (CID 787426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).