2-amino-1-ethylbenzimidazol-4-ol

C9H11N3O — CID 84767336

IUPAC2-amino-1-ethylbenzimidazol-4-ol
SMILESCCn1c(N)nc2c(O)cccc21
InChIInChI=1S/C9H11N3O/c1-2-12-6-4-3-5-7(13)8(6)11-9(12)10/h3-5,13H,2H2,1H3,(H2,10,11)
InChIKeyMGQUMTIXKGWTCU-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.34
Rot. Bonds1

About 2-amino-1-ethylbenzimidazol-4-ol

2-amino-1-ethylbenzimidazol-4-ol (PubChem CID 84767336) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 2-amino-1-ethylbenzimidazol-4-ol.

Molecular Properties

Compound Name2-amino-1-ethylbenzimidazol-4-ol
PubChem CID84767336
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name2-amino-1-ethylbenzimidazol-4-ol
SMILESCCn1c(N)nc2c(O)cccc21
InChIInChI=1S/C9H11N3O/c1-2-12-6-4-3-5-7(13)8(6)11-9(12)10/h3-5,13H,2H2,1H3,(H2,10,11)
InChIKeyMGQUMTIXKGWTCU-UHFFFAOYSA-N
XLogP1.34
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzyl-1-ethylbenzimidazol-2-amine
CID 166683889
2-bromo-1-propylbenzimidazol-4-ol
CID 84804853
2-amino-1-phenylbenzimidazol-4-ol
CID 84790043
4-bromo-1-propylbenzimidazol-2-amine
CID 84804649
2-amino-5-(1-ethyl-4-fluorobenzimidazol-2-yl)phenol
CID 60835711
4-methyl-1-(4-methylsulfanylbutyl)benzimidazol-2-amine
CID 114041696
2-(1-ethyl-4-fluorobenzimidazol-2-yl)-3-fluorophenol
CID 136789662
4-chloro-1-[(4-ethylphenyl)methyl]benzimidazol-2-amine
CID 106900318
1-[2-(diethylamino)ethyl]-4-methylbenzimidazol-2-amine
CID 114041636
2-(2-amino-4-chlorobenzimidazol-1-yl)acetamide
CID 104836765
1-(2-aminoethyl)-4-bromobenzimidazol-2-amine
CID 84804855
methyl 2-(2-amino-4-fluorobenzimidazol-1-yl)acetate
CID 60789228

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-ethylbenzimidazol-4-ol?
The IUPAC name of 2-amino-1-ethylbenzimidazol-4-ol (CID 84767336) is 2-amino-1-ethylbenzimidazol-4-ol.
What is the SMILES notation for 2-amino-1-ethylbenzimidazol-4-ol?
The canonical SMILES for 2-amino-1-ethylbenzimidazol-4-ol is CCn1c(N)nc2c(O)cccc21.
What is the InChIKey of 2-amino-1-ethylbenzimidazol-4-ol?
The InChIKey is MGQUMTIXKGWTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-2-12-6-4-3-5-7(13)8(6)11-9(12)10/h3-5,13H,2H2,1H3,(H2,10,11).
What are the key properties of 2-amino-1-ethylbenzimidazol-4-ol?
2-amino-1-ethylbenzimidazol-4-ol has a molecular weight of 177.21 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-ethylbenzimidazol-4-ol is sourced from PubChem (CID 84767336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).