1-(cyclopentylmethyl)-4,6-difluorobenzimidazol-2-amine

C13H15F2N3 — CID 113325607

IUPAC1-(cyclopentylmethyl)-4,6-difluorobenzimidazol-2-amine
SMILESNc1nc2c(F)cc(F)cc2n1CC1CCCC1
InChIInChI=1S/C13H15F2N3/c14-9-5-10(15)12-11(6-9)18(13(16)17-12)7-8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H2,16,17)
InChIKeyZMYOJNGYWVCTBZ-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.09
Rot. Bonds2

About 1-(cyclopentylmethyl)-4,6-difluorobenzimidazol-2-amine

1-(cyclopentylmethyl)-4,6-difluorobenzimidazol-2-amine (PubChem CID 113325607) has the molecular formula C13H15F2N3 and a molecular weight of 251.28 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-4,6-difluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-4,6-difluorobenzimidazol-2-amine
PubChem CID113325607
Molecular FormulaC13H15F2N3
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name1-(cyclopentylmethyl)-4,6-difluorobenzimidazol-2-amine
SMILESNc1nc2c(F)cc(F)cc2n1CC1CCCC1
InChIInChI=1S/C13H15F2N3/c14-9-5-10(15)12-11(6-9)18(13(16)17-12)7-8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H2,16,17)
InChIKeyZMYOJNGYWVCTBZ-UHFFFAOYSA-N
XLogP3.09
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-difluoro-1-(thian-2-ylmethyl)benzimidazol-2-amine
CID 115508969
2-(chloromethyl)-1-(cyclohexylmethyl)-4,6-difluorobenzimidazole
CID 115509193
1-(cyclopentylmethyl)-6-fluorobenzimidazol-2-amine
CID 62378397
2-(2-chloroethyl)-1-(cyclobutylmethyl)-4,6-difluorobenzimidazole
CID 113325667
1-cyclooctyl-4,6-difluorobenzimidazol-2-amine
CID 115508550
1-(cyclohexylmethyl)-5-fluorobenzimidazol-2-amine
CID 43662075
2-(2-chloroethyl)-1-(cyclopropylmethyl)-4,6-difluorobenzimidazole
CID 115508994
1-[(4-ethylmorpholin-2-yl)methyl]-4,6-difluorobenzimidazol-2-amine
CID 114400808
2-(chloromethyl)-4,6-difluoro-1-(oxan-4-ylmethyl)benzimidazole
CID 115509514
4,6-difluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
CID 115508865
4,6-difluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine
CID 106406005
4,6-difluoro-1-(2,3,3-trimethylbutyl)benzimidazol-2-amine
CID 83143532

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-4,6-difluorobenzimidazol-2-amine?
The IUPAC name of 1-(cyclopentylmethyl)-4,6-difluorobenzimidazol-2-amine (CID 113325607) is 1-(cyclopentylmethyl)-4,6-difluorobenzimidazol-2-amine.
What is the SMILES notation for 1-(cyclopentylmethyl)-4,6-difluorobenzimidazol-2-amine?
The canonical SMILES for 1-(cyclopentylmethyl)-4,6-difluorobenzimidazol-2-amine is Nc1nc2c(F)cc(F)cc2n1CC1CCCC1.
What is the InChIKey of 1-(cyclopentylmethyl)-4,6-difluorobenzimidazol-2-amine?
The InChIKey is ZMYOJNGYWVCTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3/c14-9-5-10(15)12-11(6-9)18(13(16)17-12)7-8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H2,16,17).
What are the key properties of 1-(cyclopentylmethyl)-4,6-difluorobenzimidazol-2-amine?
1-(cyclopentylmethyl)-4,6-difluorobenzimidazol-2-amine has a molecular weight of 251.28 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-4,6-difluorobenzimidazol-2-amine is sourced from PubChem (CID 113325607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).