1-cyclopropyl-N-[(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methyl]methanamine

C15H18FN3 — CID 55067892

IUPAC1-cyclopropyl-N-[(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methyl]methanamine
SMILESFc1ccc2nc(CNCC3CC3)n(C3CC3)c2c1
InChIInChI=1S/C15H18FN3/c16-11-3-6-13-14(7-11)19(12-4-5-12)15(18-13)9-17-8-10-1-2-10/h3,6-7,10,12,17H,1-2,4-5,8-9H2
InChIKeyASJPDOVSSCTPIR-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.01
Rot. Bonds5

About 1-cyclopropyl-N-[(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methyl]methanamine

1-cyclopropyl-N-[(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methyl]methanamine (PubChem CID 55067892) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methyl]methanamine
PubChem CID55067892
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name1-cyclopropyl-N-[(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methyl]methanamine
SMILESFc1ccc2nc(CNCC3CC3)n(C3CC3)c2c1
InChIInChI=1S/C15H18FN3/c16-11-3-6-13-14(7-11)19(12-4-5-12)15(18-13)9-17-8-10-1-2-10/h3,6-7,10,12,17H,1-2,4-5,8-9H2
InChIKeyASJPDOVSSCTPIR-UHFFFAOYSA-N
XLogP3.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methyl]methanamine?
The IUPAC name of 1-cyclopropyl-N-[(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methyl]methanamine (CID 55067892) is 1-cyclopropyl-N-[(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-[(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-[(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methyl]methanamine is Fc1ccc2nc(CNCC3CC3)n(C3CC3)c2c1.
What is the InChIKey of 1-cyclopropyl-N-[(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methyl]methanamine?
The InChIKey is ASJPDOVSSCTPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c16-11-3-6-13-14(7-11)19(12-4-5-12)15(18-13)9-17-8-10-1-2-10/h3,6-7,10,12,17H,1-2,4-5,8-9H2.
What are the key properties of 1-cyclopropyl-N-[(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methyl]methanamine?
1-cyclopropyl-N-[(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methyl]methanamine has a molecular weight of 259.33 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methyl]methanamine is sourced from PubChem (CID 55067892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).