6-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)hexan-1-amine

C16H22FN3 — CID 62378467

IUPAC6-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)hexan-1-amine
SMILESNCCCCCCc1nc2ccc(F)cc2n1C1CC1
InChIInChI=1S/C16H22FN3/c17-12-6-9-14-15(11-12)20(13-7-8-13)16(19-14)5-3-1-2-4-10-18/h6,9,11,13H,1-5,7-8,10,18H2
InChIKeyUOWDIFVGHOUXGW-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.57
Rot. Bonds7

About 6-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)hexan-1-amine

6-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)hexan-1-amine (PubChem CID 62378467) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is 6-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)hexan-1-amine.

Molecular Properties

Compound Name6-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)hexan-1-amine
PubChem CID62378467
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name6-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)hexan-1-amine
SMILESNCCCCCCc1nc2ccc(F)cc2n1C1CC1
InChIInChI=1S/C16H22FN3/c17-12-6-9-14-15(11-12)20(13-7-8-13)16(19-14)5-3-1-2-4-10-18/h6,9,11,13H,1-5,7-8,10,18H2
InChIKeyUOWDIFVGHOUXGW-UHFFFAOYSA-N
XLogP3.57
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(5-chloro-1-cyclopropylbenzimidazol-2-yl)hexan-1-amine
CID 60783944
2-(chloromethyl)-1-cyclobutyl-6-fluorobenzimidazole
CID 62414806
2-(chloromethyl)-1-cyclopentyl-6-fluorobenzimidazole
CID 62377893
2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)acetic acid
CID 55067796
1-cyclopropyl-N-[(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methyl]methanamine
CID 55067892
2-(chloromethyl)-6-fluoro-1-(oxan-4-yl)benzimidazole
CID 62377904
3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)propan-1-amine
CID 60785360
4-[(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 62376570
3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-one
CID 79873001
2-bromo-1-cyclopropyl-6-fluorobenzimidazole
CID 83844057
2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine
CID 115427820
1-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pentan-1-amine
CID 62376750

Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)hexan-1-amine?
The IUPAC name of 6-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)hexan-1-amine (CID 62378467) is 6-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)hexan-1-amine.
What is the SMILES notation for 6-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)hexan-1-amine?
The canonical SMILES for 6-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)hexan-1-amine is NCCCCCCc1nc2ccc(F)cc2n1C1CC1.
What is the InChIKey of 6-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)hexan-1-amine?
The InChIKey is UOWDIFVGHOUXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c17-12-6-9-14-15(11-12)20(13-7-8-13)16(19-14)5-3-1-2-4-10-18/h6,9,11,13H,1-5,7-8,10,18H2.
What are the key properties of 6-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)hexan-1-amine?
6-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)hexan-1-amine has a molecular weight of 275.37 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)hexan-1-amine is sourced from PubChem (CID 62378467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).