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

C18H21N3O2 — CID 51073480

IUPAC2-methoxy-5-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]phenol
SMILESCOc1ccc(CNCCn2c(C)nc3ccccc32)cc1O
InChIInChI=1S/C18H21N3O2/c1-13-20-15-5-3-4-6-16(15)21(13)10-9-19-12-14-7-8-18(23-2)17(22)11-14/h3-8,11,19,22H,9-10,12H2,1-2H3
InChIKeyGLKAIJQZDIFDHV-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.85
Rot. Bonds6

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

2-methoxy-5-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]phenol (PubChem CID 51073480) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-methoxy-5-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]phenol
PubChem CID51073480
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name2-methoxy-5-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]phenol
SMILESCOc1ccc(CNCCn2c(C)nc3ccccc32)cc1O
InChIInChI=1S/C18H21N3O2/c1-13-20-15-5-3-4-6-16(15)21(13)10-9-19-12-14-7-8-18(23-2)17(22)11-14/h3-8,11,19,22H,9-10,12H2,1-2H3
InChIKeyGLKAIJQZDIFDHV-UHFFFAOYSA-N
XLogP2.85
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylbenzimidazol-1-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 66410022
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine;hydroiodide
CID 111214768
2-(4-methoxyphenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 40716430
2-(2-methylbenzimidazol-1-yl)-N-(piperidin-4-ylmethyl)ethanamine
CID 79707187
2-(2-methylbenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 28712943
2-(2-methylbenzimidazol-1-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 62749627
N-[(5-ethylthiophen-2-yl)methyl]-2-(2-methylbenzimidazol-1-yl)ethanamine
CID 62345537
3-(2,5-dimethoxyphenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 38091464
N',N'-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]ethane-1,2-diamine
CID 60697290
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 24554303
1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 112825680
2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 71827803

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]phenol?
The IUPAC name of 2-methoxy-5-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]phenol (CID 51073480) is 2-methoxy-5-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]phenol.
What is the SMILES notation for 2-methoxy-5-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]phenol?
The canonical SMILES for 2-methoxy-5-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]phenol is COc1ccc(CNCCn2c(C)nc3ccccc32)cc1O.
What is the InChIKey of 2-methoxy-5-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]phenol?
The InChIKey is GLKAIJQZDIFDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-20-15-5-3-4-6-16(15)21(13)10-9-19-12-14-7-8-18(23-2)17(22)11-14/h3-8,11,19,22H,9-10,12H2,1-2H3.
What are the key properties of 2-methoxy-5-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]phenol?
2-methoxy-5-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]phenol has a molecular weight of 311.39 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]phenol is sourced from PubChem (CID 51073480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).