[4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-pyridinyl]methanamine

C16H15FN4 — CID 114324618

IUPAC[4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-pyridinyl]methanamine
SMILESNCc1cc(-c2nc3cc(F)ccc3n2C2CC2)ccn1
InChIInChI=1S/C16H15FN4/c17-11-1-4-15-14(8-11)20-16(21(15)13-2-3-13)10-5-6-19-12(7-10)9-18/h1,4-8,13H,2-3,9,18H2
InChIKeyHSZDSEFMUITPQW-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.03
Rot. Bonds3

About [4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-pyridinyl]methanamine

[4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-pyridinyl]methanamine (PubChem CID 114324618) has the molecular formula C16H15FN4 and a molecular weight of 282.32 g/mol. Its IUPAC name is [4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-pyridinyl]methanamine
PubChem CID114324618
Molecular FormulaC16H15FN4
Molecular Weight282.32 g/mol
Exact Mass282.13
IUPAC Name[4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-pyridinyl]methanamine
SMILESNCc1cc(-c2nc3cc(F)ccc3n2C2CC2)ccn1
InChIInChI=1S/C16H15FN4/c17-11-1-4-15-14(8-11)20-16(21(15)13-2-3-13)10-5-6-19-12(7-10)9-18/h1,4-8,13H,2-3,9,18H2
InChIKeyHSZDSEFMUITPQW-UHFFFAOYSA-N
XLogP3.03
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-pyridinyl]methanamine?
The IUPAC name of [4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-pyridinyl]methanamine (CID 114324618) is [4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-pyridinyl]methanamine.
What is the SMILES notation for [4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-pyridinyl]methanamine?
The canonical SMILES for [4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-pyridinyl]methanamine is NCc1cc(-c2nc3cc(F)ccc3n2C2CC2)ccn1.
What is the InChIKey of [4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-pyridinyl]methanamine?
The InChIKey is HSZDSEFMUITPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4/c17-11-1-4-15-14(8-11)20-16(21(15)13-2-3-13)10-5-6-19-12(7-10)9-18/h1,4-8,13H,2-3,9,18H2.
What are the key properties of [4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-pyridinyl]methanamine?
[4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-pyridinyl]methanamine has a molecular weight of 282.32 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-pyridinyl]methanamine is sourced from PubChem (CID 114324618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).