2-(6-fluoro-1,5-dimethylbenzimidazol-2-yl)propan-2-amine

C12H16FN3 — CID 83857842

IUPAC2-(6-fluoro-1,5-dimethylbenzimidazol-2-yl)propan-2-amine
SMILESCc1cc2nc(C(C)(C)N)n(C)c2cc1F
InChIInChI=1S/C12H16FN3/c1-7-5-9-10(6-8(7)13)16(4)11(15-9)12(2,3)14/h5-6H,14H2,1-4H3
InChIKeyMACJJLJWZJFVES-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.21
Rot. Bonds1

About 2-(6-fluoro-1,5-dimethylbenzimidazol-2-yl)propan-2-amine

2-(6-fluoro-1,5-dimethylbenzimidazol-2-yl)propan-2-amine (PubChem CID 83857842) has the molecular formula C12H16FN3 and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-(6-fluoro-1,5-dimethylbenzimidazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name2-(6-fluoro-1,5-dimethylbenzimidazol-2-yl)propan-2-amine
PubChem CID83857842
Molecular FormulaC12H16FN3
Molecular Weight221.28 g/mol
Exact Mass221.13
IUPAC Name2-(6-fluoro-1,5-dimethylbenzimidazol-2-yl)propan-2-amine
SMILESCc1cc2nc(C(C)(C)N)n(C)c2cc1F
InChIInChI=1S/C12H16FN3/c1-7-5-9-10(6-8(7)13)16(4)11(15-9)12(2,3)14/h5-6H,14H2,1-4H3
InChIKeyMACJJLJWZJFVES-UHFFFAOYSA-N
XLogP2.21
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-1,2,5-trimethylbenzimidazole
CID 123239325
2-(5-tert-butyl-1-methylbenzimidazol-2-yl)propan-2-amine
CID 84632050
2-[(6-fluoro-1,5-dimethylbenzimidazol-2-yl)amino]acetic acid
CID 83842413
2-(2-aminopropan-2-yl)-1-methylbenzimidazole-5-carbonitrile
CID 84621919
2-(4-bromo-1,6-dimethylbenzimidazol-2-yl)propan-2-amine
CID 84642999
2-(5-chloro-1,7-dimethylbenzimidazol-2-yl)propan-2-amine
CID 84629021
5,6-difluoro-1-methylbenzimidazol-2-amine
CID 82359172
2-(6-fluoro-1-methylbenzimidazol-2-yl)butan-2-amine
CID 79799093
3-(1,5-dimethylbenzimidazol-2-yl)-2,3-dimethylbutan-2-amine
CID 65261513
2-(7-bromo-1,5-dimethylbenzimidazol-2-yl)propan-2-amine
CID 84642998
1-ethyl-6-fluoro-2,5-dimethylbenzimidazole
CID 162381509
3-fluoro-4,7,8-trimethyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene
CID 162381782

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1,5-dimethylbenzimidazol-2-yl)propan-2-amine?
The IUPAC name of 2-(6-fluoro-1,5-dimethylbenzimidazol-2-yl)propan-2-amine (CID 83857842) is 2-(6-fluoro-1,5-dimethylbenzimidazol-2-yl)propan-2-amine.
What is the SMILES notation for 2-(6-fluoro-1,5-dimethylbenzimidazol-2-yl)propan-2-amine?
The canonical SMILES for 2-(6-fluoro-1,5-dimethylbenzimidazol-2-yl)propan-2-amine is Cc1cc2nc(C(C)(C)N)n(C)c2cc1F.
What is the InChIKey of 2-(6-fluoro-1,5-dimethylbenzimidazol-2-yl)propan-2-amine?
The InChIKey is MACJJLJWZJFVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3/c1-7-5-9-10(6-8(7)13)16(4)11(15-9)12(2,3)14/h5-6H,14H2,1-4H3.
What are the key properties of 2-(6-fluoro-1,5-dimethylbenzimidazol-2-yl)propan-2-amine?
2-(6-fluoro-1,5-dimethylbenzimidazol-2-yl)propan-2-amine has a molecular weight of 221.28 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1,5-dimethylbenzimidazol-2-yl)propan-2-amine is sourced from PubChem (CID 83857842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).