5-ethoxy-4-fluoro-1H-benzimidazol-2-amine

C9H10FN3O — CID 141151606

IUPAC5-ethoxy-4-fluoro-1H-benzimidazol-2-amine
SMILESCCOc1ccc2[nH]c(N)nc2c1F
InChIInChI=1S/C9H10FN3O/c1-2-14-6-4-3-5-8(7(6)10)13-9(11)12-5/h3-4H,2H2,1H3,(H3,11,12,13)
InChIKeyCXCQJGOFZXCALG-UHFFFAOYSA-N
MW195.20 g/mol
LogP1.68
Rot. Bonds2

About 5-ethoxy-4-fluoro-1H-benzimidazol-2-amine

5-ethoxy-4-fluoro-1H-benzimidazol-2-amine (PubChem CID 141151606) has the molecular formula C9H10FN3O and a molecular weight of 195.20 g/mol. Its IUPAC name is 5-ethoxy-4-fluoro-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name5-ethoxy-4-fluoro-1H-benzimidazol-2-amine
PubChem CID141151606
Molecular FormulaC9H10FN3O
Molecular Weight195.20 g/mol
Exact Mass195.08
IUPAC Name5-ethoxy-4-fluoro-1H-benzimidazol-2-amine
SMILESCCOc1ccc2[nH]c(N)nc2c1F
InChIInChI=1S/C9H10FN3O/c1-2-14-6-4-3-5-8(7(6)10)13-9(11)12-5/h3-4H,2H2,1H3,(H3,11,12,13)
InChIKeyCXCQJGOFZXCALG-UHFFFAOYSA-N
XLogP1.68
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-5-methoxy-1H-benzimidazol-2-amine
CID 118526223
(4-ethoxy-2,3-difluorophenyl)-trimethylsilane
CID 15751975
5-(4-ethoxy-3-fluorophenyl)-1H-imidazol-2-amine
CID 82286480
2-(4-ethoxyphenyl)-4,5-difluoro-1H-benzimidazole
CID 115911966
3,4-diethoxy-2-fluoroaniline
CID 13454492
1-ethoxy-2,3-difluoro-4-(2,2,2-trifluoroethoxy)benzene
CID 158664029
4-bromo-5-methyl-1H-benzimidazol-2-amine
CID 130051699
5-chloro-4-methyl-1H-benzimidazol-2-amine
CID 84618510
4-(chloromethyl)-1H-benzimidazole-2,5-diamine
CID 131080307
(4-ethoxy-2,3-difluorophenoxy)-oxoborane
CID 139945985
(3,6-diethoxy-2-fluorophenyl)methanol
CID 164895475
3-ethoxy-6-methylpyridin-2-amine
CID 54057030

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-4-fluoro-1H-benzimidazol-2-amine?
The IUPAC name of 5-ethoxy-4-fluoro-1H-benzimidazol-2-amine (CID 141151606) is 5-ethoxy-4-fluoro-1H-benzimidazol-2-amine.
What is the SMILES notation for 5-ethoxy-4-fluoro-1H-benzimidazol-2-amine?
The canonical SMILES for 5-ethoxy-4-fluoro-1H-benzimidazol-2-amine is CCOc1ccc2[nH]c(N)nc2c1F.
What is the InChIKey of 5-ethoxy-4-fluoro-1H-benzimidazol-2-amine?
The InChIKey is CXCQJGOFZXCALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3O/c1-2-14-6-4-3-5-8(7(6)10)13-9(11)12-5/h3-4H,2H2,1H3,(H3,11,12,13).
What are the key properties of 5-ethoxy-4-fluoro-1H-benzimidazol-2-amine?
5-ethoxy-4-fluoro-1H-benzimidazol-2-amine has a molecular weight of 195.20 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-4-fluoro-1H-benzimidazol-2-amine is sourced from PubChem (CID 141151606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).