N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methylpropan-2-amine

C15H22FN3 — CID 63772507

IUPACN-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methylpropan-2-amine
SMILESCCCn1c(CNC(C)(C)C)nc2cc(F)ccc21
InChIInChI=1S/C15H22FN3/c1-5-8-19-13-7-6-11(16)9-12(13)18-14(19)10-17-15(2,3)4/h6-7,9,17H,5,8,10H2,1-4H3
InChIKeySRDHOJZSPAFLTJ-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.47
Rot. Bonds4

About N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methylpropan-2-amine

N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methylpropan-2-amine (PubChem CID 63772507) has the molecular formula C15H22FN3 and a molecular weight of 263.36 g/mol. Its IUPAC name is N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methylpropan-2-amine
PubChem CID63772507
Molecular FormulaC15H22FN3
Molecular Weight263.36 g/mol
Exact Mass263.18
IUPAC NameN-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methylpropan-2-amine
SMILESCCCn1c(CNC(C)(C)C)nc2cc(F)ccc21
InChIInChI=1S/C15H22FN3/c1-5-8-19-13-7-6-11(16)9-12(13)18-14(19)10-17-15(2,3)4/h6-7,9,17H,5,8,10H2,1-4H3
InChIKeySRDHOJZSPAFLTJ-UHFFFAOYSA-N
XLogP3.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methylpropan-2-amine (CID 63772507) is N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methylpropan-2-amine is CCCn1c(CNC(C)(C)C)nc2cc(F)ccc21.
What is the InChIKey of N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is SRDHOJZSPAFLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3/c1-5-8-19-13-7-6-11(16)9-12(13)18-14(19)10-17-15(2,3)4/h6-7,9,17H,5,8,10H2,1-4H3.
What are the key properties of N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methylpropan-2-amine?
N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 263.36 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63772507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).