[methyl-[(2-methyl-3H-benzimidazol-5-yl)methyl]amino]methanol

C11H15N3O — CID 115229198

IUPAC[methyl-[(2-methyl-3H-benzimidazol-5-yl)methyl]amino]methanol
SMILESCc1nc2ccc(CN(C)CO)cc2[nH]1
InChIInChI=1S/C11H15N3O/c1-8-12-10-4-3-9(5-11(10)13-8)6-14(2)7-15/h3-5,15H,6-7H2,1-2H3,(H,12,13)
InChIKeyMQBQZUGUVIMXBM-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.25
Rot. Bonds3

About [methyl-[(2-methyl-3H-benzimidazol-5-yl)methyl]amino]methanol

[methyl-[(2-methyl-3H-benzimidazol-5-yl)methyl]amino]methanol (PubChem CID 115229198) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is [methyl-[(2-methyl-3H-benzimidazol-5-yl)methyl]amino]methanol.

Molecular Properties

Compound Name[methyl-[(2-methyl-3H-benzimidazol-5-yl)methyl]amino]methanol
PubChem CID115229198
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name[methyl-[(2-methyl-3H-benzimidazol-5-yl)methyl]amino]methanol
SMILESCc1nc2ccc(CN(C)CO)cc2[nH]1
InChIInChI=1S/C11H15N3O/c1-8-12-10-4-3-9(5-11(10)13-8)6-14(2)7-15/h3-5,15H,6-7H2,1-2H3,(H,12,13)
InChIKeyMQBQZUGUVIMXBM-UHFFFAOYSA-N
XLogP1.25
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[methyl-[(2-methyl-3H-benzimidazol-5-yl)methyl]amino]methyl]butan-1-ol
CID 115250935
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 115244245
N',N'-dimethyl-2-(2-methyl-3H-benzimidazol-5-yl)acetohydrazide
CID 116847491
2-[methyl-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]amino]ethanethiol
CID 115224402
methyl 2-[methyl-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]amino]acetate
CID 115233172
2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-2-ol
CID 116928691
6-(2-bromoethyl)-2-methyl-1H-benzimidazole;ethane
CID 90818369
(2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid
CID 115170893
2-hydroxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 115139875
2-chloro-N-methyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]acetamide
CID 115162214
4-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzoic acid
CID 116927206
3-amino-N-methyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide
CID 115153098

Frequently Asked Questions

What is the IUPAC name of [methyl-[(2-methyl-3H-benzimidazol-5-yl)methyl]amino]methanol?
The IUPAC name of [methyl-[(2-methyl-3H-benzimidazol-5-yl)methyl]amino]methanol (CID 115229198) is [methyl-[(2-methyl-3H-benzimidazol-5-yl)methyl]amino]methanol.
What is the SMILES notation for [methyl-[(2-methyl-3H-benzimidazol-5-yl)methyl]amino]methanol?
The canonical SMILES for [methyl-[(2-methyl-3H-benzimidazol-5-yl)methyl]amino]methanol is Cc1nc2ccc(CN(C)CO)cc2[nH]1.
What is the InChIKey of [methyl-[(2-methyl-3H-benzimidazol-5-yl)methyl]amino]methanol?
The InChIKey is MQBQZUGUVIMXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-8-12-10-4-3-9(5-11(10)13-8)6-14(2)7-15/h3-5,15H,6-7H2,1-2H3,(H,12,13).
What are the key properties of [methyl-[(2-methyl-3H-benzimidazol-5-yl)methyl]amino]methanol?
[methyl-[(2-methyl-3H-benzimidazol-5-yl)methyl]amino]methanol has a molecular weight of 205.26 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl-[(2-methyl-3H-benzimidazol-5-yl)methyl]amino]methanol is sourced from PubChem (CID 115229198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).