cyclohexyl-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methanamine

C17H22FN3 — CID 62388960

IUPACcyclohexyl-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methanamine
SMILESNC(c1nc2ccc(F)cc2n1C1CC1)C1CCCCC1
InChIInChI=1S/C17H22FN3/c18-12-6-9-14-15(10-12)21(13-7-8-13)17(20-14)16(19)11-4-2-1-3-5-11/h6,9-11,13,16H,1-5,7-8,19H2
InChIKeyAVSWDZAERXEGQL-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.09
Rot. Bonds3

About cyclohexyl-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methanamine

cyclohexyl-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methanamine (PubChem CID 62388960) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is cyclohexyl-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methanamine.

Molecular Properties

Compound Namecyclohexyl-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methanamine
PubChem CID62388960
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Namecyclohexyl-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methanamine
SMILESNC(c1nc2ccc(F)cc2n1C1CC1)C1CCCCC1
InChIInChI=1S/C17H22FN3/c18-12-6-9-14-15(10-12)21(13-7-8-13)17(20-14)16(19)11-4-2-1-3-5-11/h6,9-11,13,16H,1-5,7-8,19H2
InChIKeyAVSWDZAERXEGQL-UHFFFAOYSA-N
XLogP4.09
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methanamine?
The IUPAC name of cyclohexyl-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methanamine (CID 62388960) is cyclohexyl-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methanamine.
What is the SMILES notation for cyclohexyl-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methanamine?
The canonical SMILES for cyclohexyl-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methanamine is NC(c1nc2ccc(F)cc2n1C1CC1)C1CCCCC1.
What is the InChIKey of cyclohexyl-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methanamine?
The InChIKey is AVSWDZAERXEGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c18-12-6-9-14-15(10-12)21(13-7-8-13)17(20-14)16(19)11-4-2-1-3-5-11/h6,9-11,13,16H,1-5,7-8,19H2.
What are the key properties of cyclohexyl-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methanamine?
cyclohexyl-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methanamine has a molecular weight of 287.38 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methanamine is sourced from PubChem (CID 62388960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).