1-cyclopropyl-6-fluorobenzimidazol-5-amine

C10H10FN3 — CID 83829700

IUPAC1-cyclopropyl-6-fluorobenzimidazol-5-amine
SMILESNc1cc2ncn(C3CC3)c2cc1F
InChIInChI=1S/C10H10FN3/c11-7-3-10-9(4-8(7)12)13-5-14(10)6-1-2-6/h3-6H,1-2,12H2
InChIKeyLSRYXCYASRDRQC-UHFFFAOYSA-N
MW191.21 g/mol
LogP2.09
Rot. Bonds1

About 1-cyclopropyl-6-fluorobenzimidazol-5-amine

1-cyclopropyl-6-fluorobenzimidazol-5-amine (PubChem CID 83829700) has the molecular formula C10H10FN3 and a molecular weight of 191.21 g/mol. Its IUPAC name is 1-cyclopropyl-6-fluorobenzimidazol-5-amine.

Molecular Properties

Compound Name1-cyclopropyl-6-fluorobenzimidazol-5-amine
PubChem CID83829700
Molecular FormulaC10H10FN3
Molecular Weight191.21 g/mol
Exact Mass191.09
IUPAC Name1-cyclopropyl-6-fluorobenzimidazol-5-amine
SMILESNc1cc2ncn(C3CC3)c2cc1F
InChIInChI=1S/C10H10FN3/c11-7-3-10-9(4-8(7)12)13-5-14(10)6-1-2-6/h3-6H,1-2,12H2
InChIKeyLSRYXCYASRDRQC-UHFFFAOYSA-N
XLogP2.09
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-fluorobenzimidazol-5-amine?
The IUPAC name of 1-cyclopropyl-6-fluorobenzimidazol-5-amine (CID 83829700) is 1-cyclopropyl-6-fluorobenzimidazol-5-amine.
What is the SMILES notation for 1-cyclopropyl-6-fluorobenzimidazol-5-amine?
The canonical SMILES for 1-cyclopropyl-6-fluorobenzimidazol-5-amine is Nc1cc2ncn(C3CC3)c2cc1F.
What is the InChIKey of 1-cyclopropyl-6-fluorobenzimidazol-5-amine?
The InChIKey is LSRYXCYASRDRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3/c11-7-3-10-9(4-8(7)12)13-5-14(10)6-1-2-6/h3-6H,1-2,12H2.
What are the key properties of 1-cyclopropyl-6-fluorobenzimidazol-5-amine?
1-cyclopropyl-6-fluorobenzimidazol-5-amine has a molecular weight of 191.21 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-fluorobenzimidazol-5-amine is sourced from PubChem (CID 83829700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).