(6-fluoro-1H-benzimidazol-2-yl)-phenylmethanamine

C14H12FN3 — CID 54919596

IUPAC(6-fluoro-1H-benzimidazol-2-yl)-phenylmethanamine
SMILESNC(c1ccccc1)c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C14H12FN3/c15-10-6-7-11-12(8-10)18-14(17-11)13(16)9-4-2-1-3-5-9/h1-8,13H,16H2,(H,17,18)
InChIKeyAKEAQRGEKKFDBP-UHFFFAOYSA-N
MW241.27 g/mol
LogP2.75
Rot. Bonds2

About (6-fluoro-1H-benzimidazol-2-yl)-phenylmethanamine

(6-fluoro-1H-benzimidazol-2-yl)-phenylmethanamine (PubChem CID 54919596) has the molecular formula C14H12FN3 and a molecular weight of 241.27 g/mol. Its IUPAC name is (6-fluoro-1H-benzimidazol-2-yl)-phenylmethanamine.

Molecular Properties

Compound Name(6-fluoro-1H-benzimidazol-2-yl)-phenylmethanamine
PubChem CID54919596
Molecular FormulaC14H12FN3
Molecular Weight241.27 g/mol
Exact Mass241.10
IUPAC Name(6-fluoro-1H-benzimidazol-2-yl)-phenylmethanamine
SMILESNC(c1ccccc1)c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C14H12FN3/c15-10-6-7-11-12(8-10)18-14(17-11)13(16)9-4-2-1-3-5-9/h1-8,13H,16H2,(H,17,18)
InChIKeyAKEAQRGEKKFDBP-UHFFFAOYSA-N
XLogP2.75
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methanamine
CID 81456700
(1S,2S)-1,2-bis(6-fluoro-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 6927588
1-(6-fluoro-1H-benzimidazol-2-yl)ethanol
CID 17010542
(4-fluorophenyl)-phenylmethanamine
CID 11183272
2-[1-(azetidin-3-yl)ethyl]-6-fluoro-1H-benzimidazole
CID 116682100
(2R,3R)-1-(6-fluoro-1H-benzimidazol-2-yl)butane-1,2,3,4-tetrol
CID 118151410
(1S,2R,3R)-1-(6-fluoro-1H-benzimidazol-2-yl)butane-1,2,3,4-tetrol
CID 118128981
(1R,2R,3R,4R)-1-(6-fluoro-1H-benzimidazol-2-yl)pentane-1,2,3,4-tetrol
CID 118128954
[6-[amino-(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid;dihydrochloride
CID 67842381
S-(6-fluoro-1H-benzimidazol-2-yl)thiohydroxylamine
CID 138474768
ethane;6-fluoro-2-methyl-1H-benzimidazole
CID 142961640
6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole
CID 71367754

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-1H-benzimidazol-2-yl)-phenylmethanamine?
The IUPAC name of (6-fluoro-1H-benzimidazol-2-yl)-phenylmethanamine (CID 54919596) is (6-fluoro-1H-benzimidazol-2-yl)-phenylmethanamine.
What is the SMILES notation for (6-fluoro-1H-benzimidazol-2-yl)-phenylmethanamine?
The canonical SMILES for (6-fluoro-1H-benzimidazol-2-yl)-phenylmethanamine is NC(c1ccccc1)c1nc2ccc(F)cc2[nH]1.
What is the InChIKey of (6-fluoro-1H-benzimidazol-2-yl)-phenylmethanamine?
The InChIKey is AKEAQRGEKKFDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3/c15-10-6-7-11-12(8-10)18-14(17-11)13(16)9-4-2-1-3-5-9/h1-8,13H,16H2,(H,17,18).
What are the key properties of (6-fluoro-1H-benzimidazol-2-yl)-phenylmethanamine?
(6-fluoro-1H-benzimidazol-2-yl)-phenylmethanamine has a molecular weight of 241.27 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-1H-benzimidazol-2-yl)-phenylmethanamine is sourced from PubChem (CID 54919596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).