6-fluoro-2-(piperidin-3-ylmethyl)-1-propylbenzimidazole

C16H22FN3 — CID 62689624

IUPAC6-fluoro-2-(piperidin-3-ylmethyl)-1-propylbenzimidazole
SMILESCCCn1c(CC2CCCNC2)nc2ccc(F)cc21
InChIInChI=1S/C16H22FN3/c1-2-8-20-15-10-13(17)5-6-14(15)19-16(20)9-12-4-3-7-18-11-12/h5-6,10,12,18H,2-4,7-9,11H2,1H3
InChIKeyIYCVFIACPBPZJX-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.13
Rot. Bonds4

About 6-fluoro-2-(piperidin-3-ylmethyl)-1-propylbenzimidazole

6-fluoro-2-(piperidin-3-ylmethyl)-1-propylbenzimidazole (PubChem CID 62689624) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is 6-fluoro-2-(piperidin-3-ylmethyl)-1-propylbenzimidazole.

Molecular Properties

Compound Name6-fluoro-2-(piperidin-3-ylmethyl)-1-propylbenzimidazole
PubChem CID62689624
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name6-fluoro-2-(piperidin-3-ylmethyl)-1-propylbenzimidazole
SMILESCCCn1c(CC2CCCNC2)nc2ccc(F)cc21
InChIInChI=1S/C16H22FN3/c1-2-8-20-15-10-13(17)5-6-14(15)19-16(20)9-12-4-3-7-18-11-12/h5-6,10,12,18H,2-4,7-9,11H2,1H3
InChIKeyIYCVFIACPBPZJX-UHFFFAOYSA-N
XLogP3.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-6-fluoro-2-(piperidin-3-ylmethyl)benzimidazole
CID 62689623
2-(azetidin-3-ylmethyl)-6-fluoro-1-propylbenzimidazole
CID 64611043
2-(chloromethyl)-6-fluoro-1-propylbenzimidazole
CID 62378241
1-(2-methoxyethyl)-2-(piperidin-3-ylmethyl)benzimidazole
CID 62689788
N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclopropanamine
CID 62378276
6-fluoro-1-methyl-3-(piperidin-3-ylmethyl)indole
CID 84632394
6-fluoro-2-methyl-1-(pyrrolidin-3-ylmethyl)benzimidazole
CID 84796143
1-ethyl-4-fluoro-2-(piperidin-3-ylmethyl)benzimidazole
CID 62690625
2-(2-piperidin-3-ylpropyl)-1-propylbenzimidazole
CID 81050071
6-fluoro-2-(piperidin-3-ylmethyl)-1,3-benzoxazole
CID 55232173
6-fluoro-2-(2-methylpiperidin-4-yl)-1-propylbenzimidazole
CID 106742811
1-cyclopropyl-2-(piperidin-3-ylmethyl)benzimidazole
CID 62689106

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(piperidin-3-ylmethyl)-1-propylbenzimidazole?
The IUPAC name of 6-fluoro-2-(piperidin-3-ylmethyl)-1-propylbenzimidazole (CID 62689624) is 6-fluoro-2-(piperidin-3-ylmethyl)-1-propylbenzimidazole.
What is the SMILES notation for 6-fluoro-2-(piperidin-3-ylmethyl)-1-propylbenzimidazole?
The canonical SMILES for 6-fluoro-2-(piperidin-3-ylmethyl)-1-propylbenzimidazole is CCCn1c(CC2CCCNC2)nc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-2-(piperidin-3-ylmethyl)-1-propylbenzimidazole?
The InChIKey is IYCVFIACPBPZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-2-8-20-15-10-13(17)5-6-14(15)19-16(20)9-12-4-3-7-18-11-12/h5-6,10,12,18H,2-4,7-9,11H2,1H3.
What are the key properties of 6-fluoro-2-(piperidin-3-ylmethyl)-1-propylbenzimidazole?
6-fluoro-2-(piperidin-3-ylmethyl)-1-propylbenzimidazole has a molecular weight of 275.37 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(piperidin-3-ylmethyl)-1-propylbenzimidazole is sourced from PubChem (CID 62689624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).