6,7-difluoro-1-(2-pyridin-3-ylethyl)benzimidazol-2-amine

C14H12F2N4 — CID 62532411

IUPAC6,7-difluoro-1-(2-pyridin-3-ylethyl)benzimidazol-2-amine
SMILESNc1nc2ccc(F)c(F)c2n1CCc1cccnc1
InChIInChI=1S/C14H12F2N4/c15-10-3-4-11-13(12(10)16)20(14(17)19-11)7-5-9-2-1-6-18-8-9/h1-4,6,8H,5,7H2,(H2,17,19)
InChIKeyCRFGPYKTZZPNBK-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.53
Rot. Bonds3

About 6,7-difluoro-1-(2-pyridin-3-ylethyl)benzimidazol-2-amine

6,7-difluoro-1-(2-pyridin-3-ylethyl)benzimidazol-2-amine (PubChem CID 62532411) has the molecular formula C14H12F2N4 and a molecular weight of 274.27 g/mol. Its IUPAC name is 6,7-difluoro-1-(2-pyridin-3-ylethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6,7-difluoro-1-(2-pyridin-3-ylethyl)benzimidazol-2-amine
PubChem CID62532411
Molecular FormulaC14H12F2N4
Molecular Weight274.27 g/mol
Exact Mass274.10
IUPAC Name6,7-difluoro-1-(2-pyridin-3-ylethyl)benzimidazol-2-amine
SMILESNc1nc2ccc(F)c(F)c2n1CCc1cccnc1
InChIInChI=1S/C14H12F2N4/c15-10-3-4-11-13(12(10)16)20(14(17)19-11)7-5-9-2-1-6-18-8-9/h1-4,6,8H,5,7H2,(H2,17,19)
InChIKeyCRFGPYKTZZPNBK-UHFFFAOYSA-N
XLogP2.53
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-difluoro-1-(2-phenylethyl)benzimidazol-2-amine
CID 62531704
6,7-difluoro-1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazol-2-amine
CID 62533220
4,5-difluoro-3-(2-pyridin-3-ylethyl)-1H-benzimidazole-2-thione
CID 62532024
2-amino-3-(2-pyridin-3-ylethyl)benzimidazole-5-carbonitrile
CID 104714857
6,7-difluoro-1-methylbenzimidazol-2-amine
CID 62532542
1-[(1,5-dimethylpyrazol-4-yl)methyl]-6,7-difluorobenzimidazol-2-amine
CID 106035579
6,7-difluoro-1-(2,3,3-trimethylbutyl)benzimidazol-2-amine
CID 83143531
6,7-difluoro-1-(2-methylsulfanylpropyl)benzimidazol-2-amine
CID 113466697
1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6,7-difluorobenzimidazol-2-amine
CID 115990853
6,7-difluoro-1-(oxolan-3-ylmethyl)benzimidazol-2-amine
CID 55119012
7-chloro-2-(2-chloroethyl)-1-(2-pyridin-3-ylethyl)benzimidazole
CID 60914985
6-bromo-1-(pyridin-3-ylmethyl)benzimidazol-2-amine
CID 65347065

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-1-(2-pyridin-3-ylethyl)benzimidazol-2-amine?
The IUPAC name of 6,7-difluoro-1-(2-pyridin-3-ylethyl)benzimidazol-2-amine (CID 62532411) is 6,7-difluoro-1-(2-pyridin-3-ylethyl)benzimidazol-2-amine.
What is the SMILES notation for 6,7-difluoro-1-(2-pyridin-3-ylethyl)benzimidazol-2-amine?
The canonical SMILES for 6,7-difluoro-1-(2-pyridin-3-ylethyl)benzimidazol-2-amine is Nc1nc2ccc(F)c(F)c2n1CCc1cccnc1.
What is the InChIKey of 6,7-difluoro-1-(2-pyridin-3-ylethyl)benzimidazol-2-amine?
The InChIKey is CRFGPYKTZZPNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N4/c15-10-3-4-11-13(12(10)16)20(14(17)19-11)7-5-9-2-1-6-18-8-9/h1-4,6,8H,5,7H2,(H2,17,19).
What are the key properties of 6,7-difluoro-1-(2-pyridin-3-ylethyl)benzimidazol-2-amine?
6,7-difluoro-1-(2-pyridin-3-ylethyl)benzimidazol-2-amine has a molecular weight of 274.27 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-1-(2-pyridin-3-ylethyl)benzimidazol-2-amine is sourced from PubChem (CID 62532411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).