6-fluoro-N-(1-pyridin-4-ylethyl)-1H-benzimidazol-2-amine

C14H13FN4 — CID 103294716

IUPAC6-fluoro-N-(1-pyridin-4-ylethyl)-1H-benzimidazol-2-amine
SMILESCC(Nc1nc2ccc(F)cc2[nH]1)c1ccncc1
InChIInChI=1S/C14H13FN4/c1-9(10-4-6-16-7-5-10)17-14-18-12-3-2-11(15)8-13(12)19-14/h2-9H,1H3,(H2,17,18,19)
InChIKeyPHMFBEHGGMYZPE-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.27
Rot. Bonds3

About 6-fluoro-N-(1-pyridin-4-ylethyl)-1H-benzimidazol-2-amine

6-fluoro-N-(1-pyridin-4-ylethyl)-1H-benzimidazol-2-amine (PubChem CID 103294716) has the molecular formula C14H13FN4 and a molecular weight of 256.28 g/mol. Its IUPAC name is 6-fluoro-N-(1-pyridin-4-ylethyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-fluoro-N-(1-pyridin-4-ylethyl)-1H-benzimidazol-2-amine
PubChem CID103294716
Molecular FormulaC14H13FN4
Molecular Weight256.28 g/mol
Exact Mass256.11
IUPAC Name6-fluoro-N-(1-pyridin-4-ylethyl)-1H-benzimidazol-2-amine
SMILESCC(Nc1nc2ccc(F)cc2[nH]1)c1ccncc1
InChIInChI=1S/C14H13FN4/c1-9(10-4-6-16-7-5-10)17-14-18-12-3-2-11(15)8-13(12)19-14/h2-9H,1H3,(H2,17,18,19)
InChIKeyPHMFBEHGGMYZPE-UHFFFAOYSA-N
XLogP3.27
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-N-(1-pyridin-3-ylethyl)-1H-benzimidazol-2-amine
CID 103294715
6-fluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1H-benzimidazol-2-amine
CID 103295041
6-fluoro-N-(5-methylhexan-2-yl)-1H-benzimidazol-2-amine
CID 103294950
6-methyl-N-(1-phenylethyl)-1H-benzimidazol-2-amine
CID 45017469
3-N-(6-fluoro-1H-benzimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 103294842
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-fluoro-1H-benzimidazol-2-amine
CID 103295085
6-chloro-N-[1-(4-methoxyphenyl)ethyl]-1H-benzimidazol-2-amine
CID 82562713
6-fluoro-N-octan-4-yl-1H-benzimidazol-2-amine
CID 106026592
6-fluoro-N-(1-piperidin-3-ylethyl)-1H-benzimidazol-2-amine
CID 103295220
1-N-(6-fluoro-1H-benzimidazol-2-yl)-3-methylbutane-1,2-diamine
CID 103295277
6-fluoro-N-(2-propan-2-ylcyclohexyl)-1H-benzimidazol-2-amine
CID 103295064
1-(6-fluoro-1H-benzimidazol-2-yl)ethanol
CID 17010542

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(1-pyridin-4-ylethyl)-1H-benzimidazol-2-amine?
The IUPAC name of 6-fluoro-N-(1-pyridin-4-ylethyl)-1H-benzimidazol-2-amine (CID 103294716) is 6-fluoro-N-(1-pyridin-4-ylethyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-fluoro-N-(1-pyridin-4-ylethyl)-1H-benzimidazol-2-amine?
The canonical SMILES for 6-fluoro-N-(1-pyridin-4-ylethyl)-1H-benzimidazol-2-amine is CC(Nc1nc2ccc(F)cc2[nH]1)c1ccncc1.
What is the InChIKey of 6-fluoro-N-(1-pyridin-4-ylethyl)-1H-benzimidazol-2-amine?
The InChIKey is PHMFBEHGGMYZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4/c1-9(10-4-6-16-7-5-10)17-14-18-12-3-2-11(15)8-13(12)19-14/h2-9H,1H3,(H2,17,18,19).
What are the key properties of 6-fluoro-N-(1-pyridin-4-ylethyl)-1H-benzimidazol-2-amine?
6-fluoro-N-(1-pyridin-4-ylethyl)-1H-benzimidazol-2-amine has a molecular weight of 256.28 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(1-pyridin-4-ylethyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 103294716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).