6-fluoro-2-methyl-1-propan-2-ylbenzimidazol-5-amine

C11H14FN3 — CID 83833773

IUPAC6-fluoro-2-methyl-1-propan-2-ylbenzimidazol-5-amine
SMILESCc1nc2cc(N)c(F)cc2n1C(C)C
InChIInChI=1S/C11H14FN3/c1-6(2)15-7(3)14-10-5-9(13)8(12)4-11(10)15/h4-6H,13H2,1-3H3
InChIKeyNMQVKFXBQLRTSY-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.65
Rot. Bonds1

About 6-fluoro-2-methyl-1-propan-2-ylbenzimidazol-5-amine

6-fluoro-2-methyl-1-propan-2-ylbenzimidazol-5-amine (PubChem CID 83833773) has the molecular formula C11H14FN3 and a molecular weight of 207.25 g/mol. Its IUPAC name is 6-fluoro-2-methyl-1-propan-2-ylbenzimidazol-5-amine.

Molecular Properties

Compound Name6-fluoro-2-methyl-1-propan-2-ylbenzimidazol-5-amine
PubChem CID83833773
Molecular FormulaC11H14FN3
Molecular Weight207.25 g/mol
Exact Mass207.12
IUPAC Name6-fluoro-2-methyl-1-propan-2-ylbenzimidazol-5-amine
SMILESCc1nc2cc(N)c(F)cc2n1C(C)C
InChIInChI=1S/C11H14FN3/c1-6(2)15-7(3)14-10-5-9(13)8(12)4-11(10)15/h4-6H,13H2,1-3H3
InChIKeyNMQVKFXBQLRTSY-UHFFFAOYSA-N
XLogP2.65
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5,6-difluoro-2-methylbenzimidazol-1-yl)propanoic acid
CID 82146050
2-fluoro-4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)aniline
CID 63188091
4-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)butan-1-amine
CID 96675145
2-amino-1-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)ethanol
CID 83895796
6-bromo-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole;hydrochloride
CID 177312133
3-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)butanal
CID 117362928
O-[2-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)ethyl]hydroxylamine
CID 117338878
2-methyl-1-propan-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole
CID 137333076
2-[3-(difluoromethyl)phenyl]-6-methyl-1-propan-2-ylbenzimidazol-5-amine
CID 138710249
5-chloro-2-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)aniline
CID 62376051
3,5-dichloro-4-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)oxyaniline
CID 167581422
6-fluoro-5-iodo-1-(3-methylbutan-2-yl)benzimidazol-2-amine
CID 66102154

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-1-propan-2-ylbenzimidazol-5-amine?
The IUPAC name of 6-fluoro-2-methyl-1-propan-2-ylbenzimidazol-5-amine (CID 83833773) is 6-fluoro-2-methyl-1-propan-2-ylbenzimidazol-5-amine.
What is the SMILES notation for 6-fluoro-2-methyl-1-propan-2-ylbenzimidazol-5-amine?
The canonical SMILES for 6-fluoro-2-methyl-1-propan-2-ylbenzimidazol-5-amine is Cc1nc2cc(N)c(F)cc2n1C(C)C.
What is the InChIKey of 6-fluoro-2-methyl-1-propan-2-ylbenzimidazol-5-amine?
The InChIKey is NMQVKFXBQLRTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3/c1-6(2)15-7(3)14-10-5-9(13)8(12)4-11(10)15/h4-6H,13H2,1-3H3.
What are the key properties of 6-fluoro-2-methyl-1-propan-2-ylbenzimidazol-5-amine?
6-fluoro-2-methyl-1-propan-2-ylbenzimidazol-5-amine has a molecular weight of 207.25 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-1-propan-2-ylbenzimidazol-5-amine is sourced from PubChem (CID 83833773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).