[1-(4-fluoro-1-methylbenzimidazol-2-yl)cyclopentyl]methanamine

C14H18FN3 — CID 113309172

IUPAC[1-(4-fluoro-1-methylbenzimidazol-2-yl)cyclopentyl]methanamine
SMILESCn1c(C2(CN)CCCC2)nc2c(F)cccc21
InChIInChI=1S/C14H18FN3/c1-18-11-6-4-5-10(15)12(11)17-13(18)14(9-16)7-2-3-8-14/h4-6H,2-3,7-9,16H2,1H3
InChIKeyWRRMNFLSKULUKH-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.48
Rot. Bonds2

About [1-(4-fluoro-1-methylbenzimidazol-2-yl)cyclopentyl]methanamine

[1-(4-fluoro-1-methylbenzimidazol-2-yl)cyclopentyl]methanamine (PubChem CID 113309172) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is [1-(4-fluoro-1-methylbenzimidazol-2-yl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(4-fluoro-1-methylbenzimidazol-2-yl)cyclopentyl]methanamine
PubChem CID113309172
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name[1-(4-fluoro-1-methylbenzimidazol-2-yl)cyclopentyl]methanamine
SMILESCn1c(C2(CN)CCCC2)nc2c(F)cccc21
InChIInChI=1S/C14H18FN3/c1-18-11-6-4-5-10(15)12(11)17-13(18)14(9-16)7-2-3-8-14/h4-6H,2-3,7-9,16H2,1H3
InChIKeyWRRMNFLSKULUKH-UHFFFAOYSA-N
XLogP2.48
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluoro-1-methylbenzimidazol-2-yl)cyclopentyl]methanamine?
The IUPAC name of [1-(4-fluoro-1-methylbenzimidazol-2-yl)cyclopentyl]methanamine (CID 113309172) is [1-(4-fluoro-1-methylbenzimidazol-2-yl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(4-fluoro-1-methylbenzimidazol-2-yl)cyclopentyl]methanamine?
The canonical SMILES for [1-(4-fluoro-1-methylbenzimidazol-2-yl)cyclopentyl]methanamine is Cn1c(C2(CN)CCCC2)nc2c(F)cccc21.
What is the InChIKey of [1-(4-fluoro-1-methylbenzimidazol-2-yl)cyclopentyl]methanamine?
The InChIKey is WRRMNFLSKULUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-18-11-6-4-5-10(15)12(11)17-13(18)14(9-16)7-2-3-8-14/h4-6H,2-3,7-9,16H2,1H3.
What are the key properties of [1-(4-fluoro-1-methylbenzimidazol-2-yl)cyclopentyl]methanamine?
[1-(4-fluoro-1-methylbenzimidazol-2-yl)cyclopentyl]methanamine has a molecular weight of 247.32 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluoro-1-methylbenzimidazol-2-yl)cyclopentyl]methanamine is sourced from PubChem (CID 113309172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).