2-(5-fluoro-1-propylbenzimidazol-2-yl)-2-methylpropan-1-amine

C14H20FN3 — CID 115427809

IUPAC2-(5-fluoro-1-propylbenzimidazol-2-yl)-2-methylpropan-1-amine
SMILESCCCn1c(C(C)(C)CN)nc2cc(F)ccc21
InChIInChI=1S/C14H20FN3/c1-4-7-18-12-6-5-10(15)8-11(12)17-13(18)14(2,3)9-16/h5-6,8H,4,7,9,16H2,1-3H3
InChIKeyFTQNABAGGPZBOB-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.82
Rot. Bonds4

About 2-(5-fluoro-1-propylbenzimidazol-2-yl)-2-methylpropan-1-amine

2-(5-fluoro-1-propylbenzimidazol-2-yl)-2-methylpropan-1-amine (PubChem CID 115427809) has the molecular formula C14H20FN3 and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-(5-fluoro-1-propylbenzimidazol-2-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(5-fluoro-1-propylbenzimidazol-2-yl)-2-methylpropan-1-amine
PubChem CID115427809
Molecular FormulaC14H20FN3
Molecular Weight249.33 g/mol
Exact Mass249.16
IUPAC Name2-(5-fluoro-1-propylbenzimidazol-2-yl)-2-methylpropan-1-amine
SMILESCCCn1c(C(C)(C)CN)nc2cc(F)ccc21
InChIInChI=1S/C14H20FN3/c1-4-7-18-12-6-5-10(15)8-11(12)17-13(18)14(2,3)9-16/h5-6,8H,4,7,9,16H2,1-3H3
InChIKeyFTQNABAGGPZBOB-UHFFFAOYSA-N
XLogP2.82
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine
CID 113307952
3-(1-ethyl-5-fluorobenzimidazol-2-yl)-3-methylbutan-1-amine
CID 114285540
5-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,3-diamine
CID 107811482
N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methylpropan-2-amine
CID 63772507
ethyl 5-fluoro-1-propylbenzimidazole-2-carboxylate
CID 55189985
5-(5-fluoro-1-propylbenzimidazol-2-yl)pyridin-2-amine
CID 63262376
5-(5-fluoro-1-propylbenzimidazol-2-yl)-2-methylaniline
CID 60784700
4-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]aniline
CID 60785014
2-(5-chloro-1-propylbenzimidazol-2-yl)-2-ethylbutan-1-amine
CID 115430234
4-(4-fluorophenyl)-2,3-dihydropyridine;5-fluoro-1-propyl-2-(trifluoromethyl)benzimidazole
CID 67557145
2-(1-bromopropyl)-5-fluoro-1-propylbenzimidazole
CID 82332408
2-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,4-diol
CID 136903731

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1-propylbenzimidazol-2-yl)-2-methylpropan-1-amine?
The IUPAC name of 2-(5-fluoro-1-propylbenzimidazol-2-yl)-2-methylpropan-1-amine (CID 115427809) is 2-(5-fluoro-1-propylbenzimidazol-2-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(5-fluoro-1-propylbenzimidazol-2-yl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(5-fluoro-1-propylbenzimidazol-2-yl)-2-methylpropan-1-amine is CCCn1c(C(C)(C)CN)nc2cc(F)ccc21.
What is the InChIKey of 2-(5-fluoro-1-propylbenzimidazol-2-yl)-2-methylpropan-1-amine?
The InChIKey is FTQNABAGGPZBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3/c1-4-7-18-12-6-5-10(15)8-11(12)17-13(18)14(2,3)9-16/h5-6,8H,4,7,9,16H2,1-3H3.
What are the key properties of 2-(5-fluoro-1-propylbenzimidazol-2-yl)-2-methylpropan-1-amine?
2-(5-fluoro-1-propylbenzimidazol-2-yl)-2-methylpropan-1-amine has a molecular weight of 249.33 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1-propylbenzimidazol-2-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 115427809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).