[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenyl]methanamine

C17H18FN3 — CID 60785792

IUPAC[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenyl]methanamine
SMILESCC(C)n1c(-c2ccc(CN)cc2)nc2cc(F)ccc21
InChIInChI=1S/C17H18FN3/c1-11(2)21-16-8-7-14(18)9-15(16)20-17(21)13-5-3-12(10-19)4-6-13/h3-9,11H,10,19H2,1-2H3
InChIKeyKVCPOJHUEPSAER-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.88
Rot. Bonds3

About [4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenyl]methanamine

[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenyl]methanamine (PubChem CID 60785792) has the molecular formula C17H18FN3 and a molecular weight of 283.35 g/mol. Its IUPAC name is [4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenyl]methanamine
PubChem CID60785792
Molecular FormulaC17H18FN3
Molecular Weight283.35 g/mol
Exact Mass283.15
IUPAC Name[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenyl]methanamine
SMILESCC(C)n1c(-c2ccc(CN)cc2)nc2cc(F)ccc21
InChIInChI=1S/C17H18FN3/c1-11(2)21-16-8-7-14(18)9-15(16)20-17(21)13-5-3-12(10-19)4-6-13/h3-9,11H,10,19H2,1-2H3
InChIKeyKVCPOJHUEPSAER-UHFFFAOYSA-N
XLogP3.88
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenyl]methanamine?
The IUPAC name of [4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenyl]methanamine (CID 60785792) is [4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenyl]methanamine.
What is the SMILES notation for [4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenyl]methanamine?
The canonical SMILES for [4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenyl]methanamine is CC(C)n1c(-c2ccc(CN)cc2)nc2cc(F)ccc21.
What is the InChIKey of [4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenyl]methanamine?
The InChIKey is KVCPOJHUEPSAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3/c1-11(2)21-16-8-7-14(18)9-15(16)20-17(21)13-5-3-12(10-19)4-6-13/h3-9,11H,10,19H2,1-2H3.
What are the key properties of [4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenyl]methanamine?
[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenyl]methanamine has a molecular weight of 283.35 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenyl]methanamine is sourced from PubChem (CID 60785792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).