2-(6-fluoro-1H-benzimidazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine

C14H18FN3O — CID 82336968

IUPAC2-(6-fluoro-1H-benzimidazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESFc1ccc2nc(CCNCC3CCCO3)[nH]c2c1
InChIInChI=1S/C14H18FN3O/c15-10-3-4-12-13(8-10)18-14(17-12)5-6-16-9-11-2-1-7-19-11/h3-4,8,11,16H,1-2,5-7,9H2,(H,17,18)
InChIKeyGZWGGRVECIAKCW-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.01
Rot. Bonds5

About 2-(6-fluoro-1H-benzimidazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine

2-(6-fluoro-1H-benzimidazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 82336968) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-(6-fluoro-1H-benzimidazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(6-fluoro-1H-benzimidazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID82336968
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name2-(6-fluoro-1H-benzimidazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESFc1ccc2nc(CCNCC3CCCO3)[nH]c2c1
InChIInChI=1S/C14H18FN3O/c15-10-3-4-12-13(8-10)18-14(17-12)5-6-16-9-11-2-1-7-19-11/h3-4,8,11,16H,1-2,5-7,9H2,(H,17,18)
InChIKeyGZWGGRVECIAKCW-UHFFFAOYSA-N
XLogP2.01
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-2-[[(2R)-oxolan-2-yl]methoxy]acetamide
CID 125175720
(2S,3S)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methyloxane-3-carboxamide
CID 129399604
2-[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 91837583
N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 25218862
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclooctanamine
CID 82336934
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cycloheptanamine
CID 82336950
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-methoxypropan-1-amine
CID 82336781
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]aniline
CID 54924340
6-(4-fluorophenoxy)-N-(oxolan-2-ylmethyl)hexan-1-amine
CID 3765371
(2S,5R)-5-(aminomethyl)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 120801404
4,4-difluoro-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 146084625
2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 16767401

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1H-benzimidazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of 2-(6-fluoro-1H-benzimidazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine (CID 82336968) is 2-(6-fluoro-1H-benzimidazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(6-fluoro-1H-benzimidazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(6-fluoro-1H-benzimidazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine is Fc1ccc2nc(CCNCC3CCCO3)[nH]c2c1.
What is the InChIKey of 2-(6-fluoro-1H-benzimidazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is GZWGGRVECIAKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c15-10-3-4-12-13(8-10)18-14(17-12)5-6-16-9-11-2-1-7-19-11/h3-4,8,11,16H,1-2,5-7,9H2,(H,17,18).
What are the key properties of 2-(6-fluoro-1H-benzimidazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine?
2-(6-fluoro-1H-benzimidazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 263.32 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1H-benzimidazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 82336968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).