6-fluoro-N-(1-piperidin-3-ylethyl)-1H-benzimidazol-2-amine

C14H19FN4 — CID 103295220

IUPAC6-fluoro-N-(1-piperidin-3-ylethyl)-1H-benzimidazol-2-amine
SMILESCC(Nc1nc2ccc(F)cc2[nH]1)C1CCCNC1
InChIInChI=1S/C14H19FN4/c1-9(10-3-2-6-16-8-10)17-14-18-12-5-4-11(15)7-13(12)19-14/h4-5,7,9-10,16H,2-3,6,8H2,1H3,(H2,17,18,19)
InChIKeyVSIUDERZDPGRMK-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.50
Rot. Bonds3

About 6-fluoro-N-(1-piperidin-3-ylethyl)-1H-benzimidazol-2-amine

6-fluoro-N-(1-piperidin-3-ylethyl)-1H-benzimidazol-2-amine (PubChem CID 103295220) has the molecular formula C14H19FN4 and a molecular weight of 262.33 g/mol. Its IUPAC name is 6-fluoro-N-(1-piperidin-3-ylethyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-fluoro-N-(1-piperidin-3-ylethyl)-1H-benzimidazol-2-amine
PubChem CID103295220
Molecular FormulaC14H19FN4
Molecular Weight262.33 g/mol
Exact Mass262.16
IUPAC Name6-fluoro-N-(1-piperidin-3-ylethyl)-1H-benzimidazol-2-amine
SMILESCC(Nc1nc2ccc(F)cc2[nH]1)C1CCCNC1
InChIInChI=1S/C14H19FN4/c1-9(10-3-2-6-16-8-10)17-14-18-12-5-4-11(15)7-13(12)19-14/h4-5,7,9-10,16H,2-3,6,8H2,1H3,(H2,17,18,19)
InChIKeyVSIUDERZDPGRMK-UHFFFAOYSA-N
XLogP2.50
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-N-(6-fluoro-1H-benzimidazol-2-yl)ethane-1,2-diamine
CID 103295345
2-[1-(azetidin-3-yl)ethyl]-6-fluoro-1H-benzimidazole
CID 116682100
6-fluoro-N-(2-propan-2-ylcyclohexyl)-1H-benzimidazol-2-amine
CID 103295064
6-fluoro-N-(5-methylhexan-2-yl)-1H-benzimidazol-2-amine
CID 103294950
4,6-dimethyl-N-(1-piperidin-3-ylethyl)pyrimidin-2-amine
CID 62044870
6-fluoro-N-(1-pyridin-4-ylethyl)-1H-benzimidazol-2-amine
CID 103294716
N-(3,3-dimethylcyclohexyl)-6-fluoro-1H-benzimidazol-2-amine
CID 103295052
3-N-(6-fluoro-1H-benzimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 103294842
3-fluoro-N-(1-piperidin-3-ylethyl)benzamide
CID 43523136
1-N-(6-fluoro-1H-benzimidazol-2-yl)cyclobutane-1,3-diamine
CID 103295199
1-(2,4-difluorophenyl)-N-methyl-1-piperidin-3-ylmethanamine
CID 116951278
6-fluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1H-benzimidazol-2-amine
CID 103295041

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(1-piperidin-3-ylethyl)-1H-benzimidazol-2-amine?
The IUPAC name of 6-fluoro-N-(1-piperidin-3-ylethyl)-1H-benzimidazol-2-amine (CID 103295220) is 6-fluoro-N-(1-piperidin-3-ylethyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-fluoro-N-(1-piperidin-3-ylethyl)-1H-benzimidazol-2-amine?
The canonical SMILES for 6-fluoro-N-(1-piperidin-3-ylethyl)-1H-benzimidazol-2-amine is CC(Nc1nc2ccc(F)cc2[nH]1)C1CCCNC1.
What is the InChIKey of 6-fluoro-N-(1-piperidin-3-ylethyl)-1H-benzimidazol-2-amine?
The InChIKey is VSIUDERZDPGRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4/c1-9(10-3-2-6-16-8-10)17-14-18-12-5-4-11(15)7-13(12)19-14/h4-5,7,9-10,16H,2-3,6,8H2,1H3,(H2,17,18,19).
What are the key properties of 6-fluoro-N-(1-piperidin-3-ylethyl)-1H-benzimidazol-2-amine?
6-fluoro-N-(1-piperidin-3-ylethyl)-1H-benzimidazol-2-amine has a molecular weight of 262.33 g/mol, XLogP of 2.50, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(1-piperidin-3-ylethyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 103295220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).