(2R)-2-[1-(difluoromethyl)benzimidazol-2-yl]propan-1-amine

C11H13F2N3 — CID 41088280

IUPAC(2R)-2-[1-(difluoromethyl)benzimidazol-2-yl]propan-1-amine
SMILESC[C@H](CN)c1nc2ccccc2n1C(F)F
InChIInChI=1S/C11H13F2N3/c1-7(6-14)10-15-8-4-2-3-5-9(8)16(10)11(12)13/h2-5,7,11H,6,14H2,1H3/t7-/m1/s1
InChIKeySEMHBICJDBOMKL-SSDOTTSWSA-N
MW225.24 g/mol
LogP2.49
Rot. Bonds3

About (2R)-2-[1-(difluoromethyl)benzimidazol-2-yl]propan-1-amine

(2R)-2-[1-(difluoromethyl)benzimidazol-2-yl]propan-1-amine (PubChem CID 41088280) has the molecular formula C11H13F2N3 and a molecular weight of 225.24 g/mol. Its IUPAC name is (2R)-2-[1-(difluoromethyl)benzimidazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name(2R)-2-[1-(difluoromethyl)benzimidazol-2-yl]propan-1-amine
PubChem CID41088280
Molecular FormulaC11H13F2N3
Molecular Weight225.24 g/mol
Exact Mass225.11
IUPAC Name(2R)-2-[1-(difluoromethyl)benzimidazol-2-yl]propan-1-amine
SMILESC[C@H](CN)c1nc2ccccc2n1C(F)F
InChIInChI=1S/C11H13F2N3/c1-7(6-14)10-15-8-4-2-3-5-9(8)16(10)11(12)13/h2-5,7,11H,6,14H2,1H3/t7-/m1/s1
InChIKeySEMHBICJDBOMKL-SSDOTTSWSA-N
XLogP2.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethanol
CID 7042738
2-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethylsulfanyl]-1,3-benzothiazole
CID 46558362
1-(difluoromethyl)-2-[1-(1-ethylbenzimidazol-2-yl)sulfanylethyl]benzimidazole
CID 46601697
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl benzoate
CID 18155834
(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 25315233
1-(difluoromethyl)-2-[1-(2,3-dihydroindol-1-yl)ethyl]benzimidazole
CID 112810866
2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine;hydrochloride
CID 122169362
ethyl 4-[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperazine-1-carboxylate
CID 25330445
N-[(2R)-2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-phenylfuran-2-carboxamide
CID 51931515
N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-indol-1-ylpropanamide
CID 18129742
5-acetamido-N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide
CID 42928516
(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine;hydrochloride
CID 133143586

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(difluoromethyl)benzimidazol-2-yl]propan-1-amine?
The IUPAC name of (2R)-2-[1-(difluoromethyl)benzimidazol-2-yl]propan-1-amine (CID 41088280) is (2R)-2-[1-(difluoromethyl)benzimidazol-2-yl]propan-1-amine.
What is the SMILES notation for (2R)-2-[1-(difluoromethyl)benzimidazol-2-yl]propan-1-amine?
The canonical SMILES for (2R)-2-[1-(difluoromethyl)benzimidazol-2-yl]propan-1-amine is C[C@H](CN)c1nc2ccccc2n1C(F)F.
What is the InChIKey of (2R)-2-[1-(difluoromethyl)benzimidazol-2-yl]propan-1-amine?
The InChIKey is SEMHBICJDBOMKL-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13F2N3/c1-7(6-14)10-15-8-4-2-3-5-9(8)16(10)11(12)13/h2-5,7,11H,6,14H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-2-[1-(difluoromethyl)benzimidazol-2-yl]propan-1-amine?
(2R)-2-[1-(difluoromethyl)benzimidazol-2-yl]propan-1-amine has a molecular weight of 225.24 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(difluoromethyl)benzimidazol-2-yl]propan-1-amine is sourced from PubChem (CID 41088280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).