3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)cyclohexan-1-amine

C16H20FN3 — CID 63044383

IUPAC3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)cyclohexan-1-amine
SMILESNC1CCCC(c2nc3ccc(F)cc3n2C2CC2)C1
InChIInChI=1S/C16H20FN3/c17-11-4-7-14-15(9-11)20(13-5-6-13)16(19-14)10-2-1-3-12(18)8-10/h4,7,9-10,12-13H,1-3,5-6,8,18H2
InChIKeyVQGZUQDQQLJCIU-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.50
Rot. Bonds2

About 3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)cyclohexan-1-amine

3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)cyclohexan-1-amine (PubChem CID 63044383) has the molecular formula C16H20FN3 and a molecular weight of 273.35 g/mol. Its IUPAC name is 3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)cyclohexan-1-amine
PubChem CID63044383
Molecular FormulaC16H20FN3
Molecular Weight273.35 g/mol
Exact Mass273.16
IUPAC Name3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)cyclohexan-1-amine
SMILESNC1CCCC(c2nc3ccc(F)cc3n2C2CC2)C1
InChIInChI=1S/C16H20FN3/c17-11-4-7-14-15(9-11)20(13-5-6-13)16(19-14)10-2-1-3-12(18)8-10/h4,7,9-10,12-13H,1-3,5-6,8,18H2
InChIKeyVQGZUQDQQLJCIU-UHFFFAOYSA-N
XLogP3.50
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine
CID 63044382
3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)cyclohexan-1-amine
CID 63044205
3-(6-chloro-1-cyclopropylbenzimidazol-2-yl)cyclopentan-1-amine
CID 115473273
2-bromo-1-cyclopropyl-6-fluorobenzimidazole
CID 83844057
2-(chloromethyl)-1-cyclobutyl-6-fluorobenzimidazole
CID 62414806
cyclohexyl-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methanamine
CID 62388960
1-cyclopropyl-6-fluoro-2-(3-methylpiperidin-2-yl)benzimidazole
CID 107070503
2-(chloromethyl)-1-cyclopentyl-6-fluorobenzimidazole
CID 62377893
cis-(1S,3R)-3-(1-cyclopropyl-5-methoxybenzimidazol-2-yl)cyclopentan-1-amine
CID 106322605
1-cyclopropyl-N-[(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methyl]methanamine
CID 55067892
2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine
CID 115427820
3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]cyclohexan-1-amine
CID 81455528

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)cyclohexan-1-amine?
The IUPAC name of 3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)cyclohexan-1-amine (CID 63044383) is 3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for 3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)cyclohexan-1-amine is NC1CCCC(c2nc3ccc(F)cc3n2C2CC2)C1.
What is the InChIKey of 3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)cyclohexan-1-amine?
The InChIKey is VQGZUQDQQLJCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c17-11-4-7-14-15(9-11)20(13-5-6-13)16(19-14)10-2-1-3-12(18)8-10/h4,7,9-10,12-13H,1-3,5-6,8,18H2.
What are the key properties of 3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)cyclohexan-1-amine?
3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)cyclohexan-1-amine has a molecular weight of 273.35 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 63044383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).