(2R)-2-(4-fluoro-1H-benzimidazol-2-yl)propan-1-amine

C10H12FN3 — CID 94542551

IUPAC(2R)-2-(4-fluoro-1H-benzimidazol-2-yl)propan-1-amine
SMILESC[C@H](CN)c1nc2c(F)cccc2[nH]1
InChIInChI=1S/C10H12FN3/c1-6(5-12)10-13-8-4-2-3-7(11)9(8)14-10/h2-4,6H,5,12H2,1H3,(H,13,14)/t6-/m1/s1
InChIKeyBOIOLKPIQKCBRV-ZCFIWIBFSA-N
MW193.22 g/mol
LogP1.76
Rot. Bonds2

About (2R)-2-(4-fluoro-1H-benzimidazol-2-yl)propan-1-amine

(2R)-2-(4-fluoro-1H-benzimidazol-2-yl)propan-1-amine (PubChem CID 94542551) has the molecular formula C10H12FN3 and a molecular weight of 193.22 g/mol. Its IUPAC name is (2R)-2-(4-fluoro-1H-benzimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name(2R)-2-(4-fluoro-1H-benzimidazol-2-yl)propan-1-amine
PubChem CID94542551
Molecular FormulaC10H12FN3
Molecular Weight193.22 g/mol
Exact Mass193.10
IUPAC Name(2R)-2-(4-fluoro-1H-benzimidazol-2-yl)propan-1-amine
SMILESC[C@H](CN)c1nc2c(F)cccc2[nH]1
InChIInChI=1S/C10H12FN3/c1-6(5-12)10-13-8-4-2-3-7(11)9(8)14-10/h2-4,6H,5,12H2,1H3,(H,13,14)/t6-/m1/s1
InChIKeyBOIOLKPIQKCBRV-ZCFIWIBFSA-N
XLogP1.76
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(4-fluoro-1H-benzimidazol-2-yl)propan-1-amine
CID 62852421
(2S)-2-(4-chloro-1H-benzimidazol-2-yl)propan-1-amine
CID 94542564
2-(4-bromo-1H-benzimidazol-2-yl)propan-1-amine
CID 83866913
ethyl 2-(4-fluoro-1H-benzimidazol-2-yl)propanoate
CID 79474563
2-[(4-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine
CID 81072710
4-(4-chloro-1H-benzimidazol-2-yl)pentan-1-amine
CID 104683345
4-fluoro-2-[methoxy(phenyl)methyl]-1H-benzimidazole
CID 64724565
4-(4,5-difluoro-1H-benzimidazol-2-yl)pentan-1-amine
CID 104683398
5-(4-fluoro-1H-benzimidazol-2-yl)pentan-2-amine
CID 82847015
[6-(4-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]methanamine
CID 81099845
2-(4-fluoro-1H-benzimidazol-2-yl)propan-2-amine
CID 61266911
3-(4-fluoro-1H-benzimidazol-2-yl)pentan-3-amine
CID 79806891

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluoro-1H-benzimidazol-2-yl)propan-1-amine?
The IUPAC name of (2R)-2-(4-fluoro-1H-benzimidazol-2-yl)propan-1-amine (CID 94542551) is (2R)-2-(4-fluoro-1H-benzimidazol-2-yl)propan-1-amine.
What is the SMILES notation for (2R)-2-(4-fluoro-1H-benzimidazol-2-yl)propan-1-amine?
The canonical SMILES for (2R)-2-(4-fluoro-1H-benzimidazol-2-yl)propan-1-amine is C[C@H](CN)c1nc2c(F)cccc2[nH]1.
What is the InChIKey of (2R)-2-(4-fluoro-1H-benzimidazol-2-yl)propan-1-amine?
The InChIKey is BOIOLKPIQKCBRV-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H12FN3/c1-6(5-12)10-13-8-4-2-3-7(11)9(8)14-10/h2-4,6H,5,12H2,1H3,(H,13,14)/t6-/m1/s1.
What are the key properties of (2R)-2-(4-fluoro-1H-benzimidazol-2-yl)propan-1-amine?
(2R)-2-(4-fluoro-1H-benzimidazol-2-yl)propan-1-amine has a molecular weight of 193.22 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluoro-1H-benzimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 94542551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).