[2-(1-methylbenzimidazol-5-yl)ethylamino]methanol

C11H15N3O — CID 115229361

IUPAC[2-(1-methylbenzimidazol-5-yl)ethylamino]methanol
SMILESCn1cnc2cc(CCNCO)ccc21
InChIInChI=1S/C11H15N3O/c1-14-7-13-10-6-9(2-3-11(10)14)4-5-12-8-15/h2-3,6-7,12,15H,4-5,8H2,1H3
InChIKeyDSSLFATXJABPMS-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.66
Rot. Bonds4

About [2-(1-methylbenzimidazol-5-yl)ethylamino]methanol

[2-(1-methylbenzimidazol-5-yl)ethylamino]methanol (PubChem CID 115229361) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is [2-(1-methylbenzimidazol-5-yl)ethylamino]methanol.

Molecular Properties

Compound Name[2-(1-methylbenzimidazol-5-yl)ethylamino]methanol
PubChem CID115229361
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name[2-(1-methylbenzimidazol-5-yl)ethylamino]methanol
SMILESCn1cnc2cc(CCNCO)ccc21
InChIInChI=1S/C11H15N3O/c1-14-7-13-10-6-9(2-3-11(10)14)4-5-12-8-15/h2-3,6-7,12,15H,4-5,8H2,1H3
InChIKeyDSSLFATXJABPMS-UHFFFAOYSA-N
XLogP0.66
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[2-(1-methylbenzimidazol-5-yl)ethylamino]ethanethiol
CID 115224269
N-ethyl-N'-[2-(1-methylbenzimidazol-5-yl)ethyl]ethane-1,2-diamine
CID 115206036
(E)-4-[2-(1-methylbenzimidazol-5-yl)ethylamino]but-2-enoic acid
CID 115237307
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(1-methylbenzimidazol-5-yl)ethanamine
CID 115244333
5-(2-chloroethyl)-1-methylbenzimidazole
CID 82255547
2-(1-methylbenzimidazol-5-yl)ethanamine
CID 82255151
4-[(1-methylbenzimidazol-5-yl)methylamino]butan-1-ol
CID 115217622
3-chloro-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide
CID 115162649
3-amino-2-hydroxy-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide
CID 115180781
N-[2-(1-methylbenzimidazol-5-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 110791656
2-methyl-2-[2-(1-methylbenzimidazol-5-yl)ethylamino]propanenitrile
CID 115129612
N-[2-(1-methylbenzimidazol-5-yl)ethyl]azetidine-3-carboxamide
CID 115159038

Frequently Asked Questions

What is the IUPAC name of [2-(1-methylbenzimidazol-5-yl)ethylamino]methanol?
The IUPAC name of [2-(1-methylbenzimidazol-5-yl)ethylamino]methanol (CID 115229361) is [2-(1-methylbenzimidazol-5-yl)ethylamino]methanol.
What is the SMILES notation for [2-(1-methylbenzimidazol-5-yl)ethylamino]methanol?
The canonical SMILES for [2-(1-methylbenzimidazol-5-yl)ethylamino]methanol is Cn1cnc2cc(CCNCO)ccc21.
What is the InChIKey of [2-(1-methylbenzimidazol-5-yl)ethylamino]methanol?
The InChIKey is DSSLFATXJABPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-14-7-13-10-6-9(2-3-11(10)14)4-5-12-8-15/h2-3,6-7,12,15H,4-5,8H2,1H3.
What are the key properties of [2-(1-methylbenzimidazol-5-yl)ethylamino]methanol?
[2-(1-methylbenzimidazol-5-yl)ethylamino]methanol has a molecular weight of 205.26 g/mol, XLogP of 0.66, 4 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)ethylamino]methanol is sourced from PubChem (CID 115229361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).