N-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine

C15H22FN3 — CID 63066063

IUPACN-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nc2c(F)cccc2n1C(C)C
InChIInChI=1S/C15H22FN3/c1-10(2)8-17-9-14-18-15-12(16)6-5-7-13(15)19(14)11(3)4/h5-7,10-11,17H,8-9H2,1-4H3
InChIKeyUQYVLGZTENWPHO-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.50
Rot. Bonds5

About N-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine

N-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine (PubChem CID 63066063) has the molecular formula C15H22FN3 and a molecular weight of 263.36 g/mol. Its IUPAC name is N-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine
PubChem CID63066063
Molecular FormulaC15H22FN3
Molecular Weight263.36 g/mol
Exact Mass263.18
IUPAC NameN-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nc2c(F)cccc2n1C(C)C
InChIInChI=1S/C15H22FN3/c1-10(2)8-17-9-14-18-15-12(16)6-5-7-13(15)19(14)11(3)4/h5-7,10-11,17H,8-9H2,1-4H3
InChIKeyUQYVLGZTENWPHO-UHFFFAOYSA-N
XLogP3.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine (CID 63066063) is N-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine is CC(C)CNCc1nc2c(F)cccc2n1C(C)C.
What is the InChIKey of N-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is UQYVLGZTENWPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3/c1-10(2)8-17-9-14-18-15-12(16)6-5-7-13(15)19(14)11(3)4/h5-7,10-11,17H,8-9H2,1-4H3.
What are the key properties of N-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine?
N-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 263.36 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63066063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).