7-fluoro-2-propan-2-yl-3H-benzimidazol-5-amine

C10H12FN3 — CID 83698211

IUPAC7-fluoro-2-propan-2-yl-3H-benzimidazol-5-amine
SMILESCC(C)c1nc2c(F)cc(N)cc2[nH]1
InChIInChI=1S/C10H12FN3/c1-5(2)10-13-8-4-6(12)3-7(11)9(8)14-10/h3-5H,12H2,1-2H3,(H,13,14)
InChIKeyCTOMXTXYCZDLMT-UHFFFAOYSA-N
MW193.22 g/mol
LogP2.41
Rot. Bonds1

About 7-fluoro-2-propan-2-yl-3H-benzimidazol-5-amine

7-fluoro-2-propan-2-yl-3H-benzimidazol-5-amine (PubChem CID 83698211) has the molecular formula C10H12FN3 and a molecular weight of 193.22 g/mol. Its IUPAC name is 7-fluoro-2-propan-2-yl-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name7-fluoro-2-propan-2-yl-3H-benzimidazol-5-amine
PubChem CID83698211
Molecular FormulaC10H12FN3
Molecular Weight193.22 g/mol
Exact Mass193.10
IUPAC Name7-fluoro-2-propan-2-yl-3H-benzimidazol-5-amine
SMILESCC(C)c1nc2c(F)cc(N)cc2[nH]1
InChIInChI=1S/C10H12FN3/c1-5(2)10-13-8-4-6(12)3-7(11)9(8)14-10/h3-5H,12H2,1-2H3,(H,13,14)
InChIKeyCTOMXTXYCZDLMT-UHFFFAOYSA-N
XLogP2.41
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-fluoro-2-propan-2-yl-3H-benzimidazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-7-fluoro-3H-benzimidazol-5-amine
CID 83696004
2-(difluoromethyl)-4-fluoro-6-methyl-1H-benzimidazole
CID 130051092
(1S)-1-(6-chloro-4-fluoro-1H-benzimidazol-2-yl)ethanol
CID 178090057
2-(4,6-difluoro-1H-benzimidazol-2-yl)-4-methylpentan-1-amine
CID 81449342
2,6-di(propan-2-yl)-4-(trifluoromethyl)-1H-benzimidazole
CID 164713884
4-methoxy-2,6-di(propan-2-yl)-1H-benzimidazole
CID 164713848
(2R)-2-(4-fluoro-1H-benzimidazol-2-yl)propan-1-amine
CID 94542551
4-(4-amino-2-fluorophenoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 114578645
6-methyl-2-propan-2-yl-1H-benzimidazole-4-carboxylic acid
CID 84683704
(4,6-difluoro-1H-benzimidazol-2-yl)-thiophen-2-ylmethanamine
CID 115284668
2-[chloro(phenyl)methyl]-4,6-difluoro-1H-benzimidazole
CID 81449800
(1R)-1-(6-amino-1H-benzimidazol-2-yl)ethanol
CID 41455600

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-propan-2-yl-3H-benzimidazol-5-amine?
The IUPAC name of 7-fluoro-2-propan-2-yl-3H-benzimidazol-5-amine (CID 83698211) is 7-fluoro-2-propan-2-yl-3H-benzimidazol-5-amine.
What is the SMILES notation for 7-fluoro-2-propan-2-yl-3H-benzimidazol-5-amine?
The canonical SMILES for 7-fluoro-2-propan-2-yl-3H-benzimidazol-5-amine is CC(C)c1nc2c(F)cc(N)cc2[nH]1.
What is the InChIKey of 7-fluoro-2-propan-2-yl-3H-benzimidazol-5-amine?
The InChIKey is CTOMXTXYCZDLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3/c1-5(2)10-13-8-4-6(12)3-7(11)9(8)14-10/h3-5H,12H2,1-2H3,(H,13,14).
What are the key properties of 7-fluoro-2-propan-2-yl-3H-benzimidazol-5-amine?
7-fluoro-2-propan-2-yl-3H-benzimidazol-5-amine has a molecular weight of 193.22 g/mol, XLogP of 2.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-propan-2-yl-3H-benzimidazol-5-amine is sourced from PubChem (CID 83698211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).