2-ethyl-7-fluoro-3H-benzimidazol-5-amine

C9H10FN3 — CID 83696004

IUPAC2-ethyl-7-fluoro-3H-benzimidazol-5-amine
SMILESCCc1nc2c(F)cc(N)cc2[nH]1
InChIInChI=1S/C9H10FN3/c1-2-8-12-7-4-5(11)3-6(10)9(7)13-8/h3-4H,2,11H2,1H3,(H,12,13)
InChIKeyATMSVRLIBOKYEG-UHFFFAOYSA-N
MW179.20 g/mol
LogP1.85
Rot. Bonds1

About 2-ethyl-7-fluoro-3H-benzimidazol-5-amine

2-ethyl-7-fluoro-3H-benzimidazol-5-amine (PubChem CID 83696004) has the molecular formula C9H10FN3 and a molecular weight of 179.20 g/mol. Its IUPAC name is 2-ethyl-7-fluoro-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-ethyl-7-fluoro-3H-benzimidazol-5-amine
PubChem CID83696004
Molecular FormulaC9H10FN3
Molecular Weight179.20 g/mol
Exact Mass179.09
IUPAC Name2-ethyl-7-fluoro-3H-benzimidazol-5-amine
SMILESCCc1nc2c(F)cc(N)cc2[nH]1
InChIInChI=1S/C9H10FN3/c1-2-8-12-7-4-5(11)3-6(10)9(7)13-8/h3-4H,2,11H2,1H3,(H,12,13)
InChIKeyATMSVRLIBOKYEG-UHFFFAOYSA-N
XLogP1.85
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

7-fluoro-2-propan-2-yl-3H-benzimidazol-5-amine
CID 83698211
2-ethyl-3H-benzimidazol-5-amine
CID 3094372
2-ethyl-4-fluoro-1,3-benzoxazol-6-amine
CID 178076607
3-(4,6-difluoro-1H-benzimidazol-2-yl)propan-1-ol
CID 81463474
N-[2-(4,6-difluoro-1H-benzimidazol-2-yl)ethyl]propan-2-amine
CID 81449443
7-bromo-3-ethyl-5-fluoro-1H-quinoxalin-2-one
CID 168856768
4,6-difluoro-2-(3-methoxy-2-methylpropyl)-1H-benzimidazole
CID 81463285
4-[3-(4,6-difluoro-1H-benzimidazol-2-yl)propyl]-1,3-thiazol-2-amine
CID 81449227
3-(2-ethyl-8-fluoro-4-oxo-3H-quinazolin-6-yl)-2,2-dimethylpropanoic acid
CID 158737305
2-(4-ethylphenyl)-4,6-difluoro-1H-benzimidazole
CID 81463194
2-(4,6-difluoro-1H-benzimidazol-2-yl)-2-ethylbutan-1-amine
CID 113308599
4,6-difluoro-2-(2,2,2-trifluoroethoxymethyl)-1H-benzimidazole
CID 103208892

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-fluoro-3H-benzimidazol-5-amine?
The IUPAC name of 2-ethyl-7-fluoro-3H-benzimidazol-5-amine (CID 83696004) is 2-ethyl-7-fluoro-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-ethyl-7-fluoro-3H-benzimidazol-5-amine?
The canonical SMILES for 2-ethyl-7-fluoro-3H-benzimidazol-5-amine is CCc1nc2c(F)cc(N)cc2[nH]1.
What is the InChIKey of 2-ethyl-7-fluoro-3H-benzimidazol-5-amine?
The InChIKey is ATMSVRLIBOKYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3/c1-2-8-12-7-4-5(11)3-6(10)9(7)13-8/h3-4H,2,11H2,1H3,(H,12,13).
What are the key properties of 2-ethyl-7-fluoro-3H-benzimidazol-5-amine?
2-ethyl-7-fluoro-3H-benzimidazol-5-amine has a molecular weight of 179.20 g/mol, XLogP of 1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-fluoro-3H-benzimidazol-5-amine is sourced from PubChem (CID 83696004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).