[1-(6-fluoro-1H-benzimidazol-2-yl)azepan-2-yl]methanol

C14H18FN3O — CID 103295426

IUPAC[1-(6-fluoro-1H-benzimidazol-2-yl)azepan-2-yl]methanol
SMILESOCC1CCCCCN1c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C14H18FN3O/c15-10-5-6-12-13(8-10)17-14(16-12)18-7-3-1-2-4-11(18)9-19/h5-6,8,11,19H,1-4,7,9H2,(H,16,17)
InChIKeyKVIRHOIZPCUJQB-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.44
Rot. Bonds2

About [1-(6-fluoro-1H-benzimidazol-2-yl)azepan-2-yl]methanol

[1-(6-fluoro-1H-benzimidazol-2-yl)azepan-2-yl]methanol (PubChem CID 103295426) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is [1-(6-fluoro-1H-benzimidazol-2-yl)azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-(6-fluoro-1H-benzimidazol-2-yl)azepan-2-yl]methanol
PubChem CID103295426
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name[1-(6-fluoro-1H-benzimidazol-2-yl)azepan-2-yl]methanol
SMILESOCC1CCCCCN1c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C14H18FN3O/c15-10-5-6-12-13(8-10)17-14(16-12)18-7-3-1-2-4-11(18)9-19/h5-6,8,11,19H,1-4,7,9H2,(H,16,17)
InChIKeyKVIRHOIZPCUJQB-UHFFFAOYSA-N
XLogP2.44
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(bromomethyl)piperidin-1-yl]-6-fluoro-1H-benzimidazole
CID 103295609
6-fluoro-2-pyrrolidin-1-yl-1H-benzimidazole
CID 142734957
1-(6-fluoro-1H-benzimidazol-2-yl)piperidine-4-carboxylic acid
CID 84614259
5-fluoro-2-[2-(hydroxymethyl)piperidin-1-yl]benzaldehyde
CID 61407533
N-[[4-(6-fluoro-1H-benzimidazol-2-yl)morpholin-3-yl]methyl]ethanamine
CID 103295537
2-[4-(bromomethyl)piperidin-1-yl]-6-fluoro-1H-benzimidazole
CID 103295605
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-fluoro-1H-benzimidazol-2-amine
CID 103294689
1-(6-fluoro-1H-benzimidazol-2-yl)piperazine-2-carboxamide
CID 103295287
6-fluoro-2-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-benzimidazole
CID 103295247
[(2R)-1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]methanol
CID 97169521
[(2S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-2-yl]methanol
CID 97169554
[1-(1H-benzimidazol-2-yl)pyrrolidin-2-yl]methanamine
CID 62593155

Frequently Asked Questions

What is the IUPAC name of [1-(6-fluoro-1H-benzimidazol-2-yl)azepan-2-yl]methanol?
The IUPAC name of [1-(6-fluoro-1H-benzimidazol-2-yl)azepan-2-yl]methanol (CID 103295426) is [1-(6-fluoro-1H-benzimidazol-2-yl)azepan-2-yl]methanol.
What is the SMILES notation for [1-(6-fluoro-1H-benzimidazol-2-yl)azepan-2-yl]methanol?
The canonical SMILES for [1-(6-fluoro-1H-benzimidazol-2-yl)azepan-2-yl]methanol is OCC1CCCCCN1c1nc2ccc(F)cc2[nH]1.
What is the InChIKey of [1-(6-fluoro-1H-benzimidazol-2-yl)azepan-2-yl]methanol?
The InChIKey is KVIRHOIZPCUJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c15-10-5-6-12-13(8-10)17-14(16-12)18-7-3-1-2-4-11(18)9-19/h5-6,8,11,19H,1-4,7,9H2,(H,16,17).
What are the key properties of [1-(6-fluoro-1H-benzimidazol-2-yl)azepan-2-yl]methanol?
[1-(6-fluoro-1H-benzimidazol-2-yl)azepan-2-yl]methanol has a molecular weight of 263.32 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-fluoro-1H-benzimidazol-2-yl)azepan-2-yl]methanol is sourced from PubChem (CID 103295426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).