1-[(dimethylamino)methyl]benzimidazol-5-ol

C10H13N3O — CID 175490360

IUPAC1-[(dimethylamino)methyl]benzimidazol-5-ol
SMILESCN(C)Cn1cnc2cc(O)ccc21
InChIInChI=1S/C10H13N3O/c1-12(2)7-13-6-11-9-5-8(14)3-4-10(9)13/h3-6,14H,7H2,1-2H3
InChIKeyLYOAQHNDYBAXJQ-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.26
Rot. Bonds2

About 1-[(dimethylamino)methyl]benzimidazol-5-ol

1-[(dimethylamino)methyl]benzimidazol-5-ol (PubChem CID 175490360) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-[(dimethylamino)methyl]benzimidazol-5-ol.

Molecular Properties

Compound Name1-[(dimethylamino)methyl]benzimidazol-5-ol
PubChem CID175490360
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name1-[(dimethylamino)methyl]benzimidazol-5-ol
SMILESCN(C)Cn1cnc2cc(O)ccc21
InChIInChI=1S/C10H13N3O/c1-12(2)7-13-6-11-9-5-8(14)3-4-10(9)13/h3-6,14H,7H2,1-2H3
InChIKeyLYOAQHNDYBAXJQ-UHFFFAOYSA-N
XLogP1.26
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-hydroxybenzimidazol-5-ol
CID 118518300
1-(piperidin-3-ylmethyl)benzimidazol-5-ol
CID 84794554
1-(4-aminophenyl)benzimidazol-5-ol;ethane
CID 145364845
1-[3-(dimethylamino)-2,2-dimethylpropyl]benzimidazol-5-amine
CID 62507833
4-[2-(5-fluorobenzimidazol-1-yl)ethyl]phenol;hydrochloride
CID 168868332
2-(6-hydroxybenzimidazol-1-yl)acetic acid
CID 84772237
2-(5-tert-butylbenzimidazol-1-yl)ethanol
CID 176701659
4-(benzimidazol-1-ylmethyl)phenol
CID 6498815
1-ethylbenzimidazol-5-amine;dihydrochloride
CID 46735992
3-[1-[(4-hydroxyphenyl)methyl]benzimidazol-5-yl]propanamide
CID 143018767
1-ethyl-5-isocyanobenzimidazole
CID 140845990
4-(5-aminobenzimidazol-1-yl)butan-2-ol
CID 64912560

Frequently Asked Questions

What is the IUPAC name of 1-[(dimethylamino)methyl]benzimidazol-5-ol?
The IUPAC name of 1-[(dimethylamino)methyl]benzimidazol-5-ol (CID 175490360) is 1-[(dimethylamino)methyl]benzimidazol-5-ol.
What is the SMILES notation for 1-[(dimethylamino)methyl]benzimidazol-5-ol?
The canonical SMILES for 1-[(dimethylamino)methyl]benzimidazol-5-ol is CN(C)Cn1cnc2cc(O)ccc21.
What is the InChIKey of 1-[(dimethylamino)methyl]benzimidazol-5-ol?
The InChIKey is LYOAQHNDYBAXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-12(2)7-13-6-11-9-5-8(14)3-4-10(9)13/h3-6,14H,7H2,1-2H3.
What are the key properties of 1-[(dimethylamino)methyl]benzimidazol-5-ol?
1-[(dimethylamino)methyl]benzimidazol-5-ol has a molecular weight of 191.23 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(dimethylamino)methyl]benzimidazol-5-ol is sourced from PubChem (CID 175490360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).