1-(4-fluoro-1-methylbenzimidazol-2-yl)cyclohexan-1-amine

C14H18FN3 — CID 61291205

IUPAC1-(4-fluoro-1-methylbenzimidazol-2-yl)cyclohexan-1-amine
SMILESCn1c(C2(N)CCCCC2)nc2c(F)cccc21
InChIInChI=1S/C14H18FN3/c1-18-11-7-5-6-10(15)12(11)17-13(18)14(16)8-3-2-4-9-14/h5-7H,2-4,8-9,16H2,1H3
InChIKeyCZDFQSFIVDNVJR-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.83
Rot. Bonds1

About 1-(4-fluoro-1-methylbenzimidazol-2-yl)cyclohexan-1-amine

1-(4-fluoro-1-methylbenzimidazol-2-yl)cyclohexan-1-amine (PubChem CID 61291205) 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)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-1-methylbenzimidazol-2-yl)cyclohexan-1-amine
PubChem CID61291205
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name1-(4-fluoro-1-methylbenzimidazol-2-yl)cyclohexan-1-amine
SMILESCn1c(C2(N)CCCCC2)nc2c(F)cccc21
InChIInChI=1S/C14H18FN3/c1-18-11-7-5-6-10(15)12(11)17-13(18)14(16)8-3-2-4-9-14/h5-7H,2-4,8-9,16H2,1H3
InChIKeyCZDFQSFIVDNVJR-UHFFFAOYSA-N
XLogP2.83
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.83
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)cyclohexan-1-amine?
The IUPAC name of 1-(4-fluoro-1-methylbenzimidazol-2-yl)cyclohexan-1-amine (CID 61291205) is 1-(4-fluoro-1-methylbenzimidazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(4-fluoro-1-methylbenzimidazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(4-fluoro-1-methylbenzimidazol-2-yl)cyclohexan-1-amine is Cn1c(C2(N)CCCCC2)nc2c(F)cccc21.
What is the InChIKey of 1-(4-fluoro-1-methylbenzimidazol-2-yl)cyclohexan-1-amine?
The InChIKey is CZDFQSFIVDNVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-18-11-7-5-6-10(15)12(11)17-13(18)14(16)8-3-2-4-9-14/h5-7H,2-4,8-9,16H2,1H3.
What are the key properties of 1-(4-fluoro-1-methylbenzimidazol-2-yl)cyclohexan-1-amine?
1-(4-fluoro-1-methylbenzimidazol-2-yl)cyclohexan-1-amine has a molecular weight of 247.32 g/mol, XLogP of 2.83, 1 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)cyclohexan-1-amine is sourced from PubChem (CID 61291205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).