2-[(4-fluoro-2-pyridinyl)methyl]-1-propylbenzimidazole

C16H16FN3 — CID 102824508

IUPAC2-[(4-fluoro-2-pyridinyl)methyl]-1-propylbenzimidazole
SMILESCCCn1c(Cc2cc(F)ccn2)nc2ccccc21
InChIInChI=1S/C16H16FN3/c1-2-9-20-15-6-4-3-5-14(15)19-16(20)11-13-10-12(17)7-8-18-13/h3-8,10H,2,9,11H2,1H3
InChIKeyIUEXMEJTJFIWMR-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.57
Rot. Bonds4

About 2-[(4-fluoro-2-pyridinyl)methyl]-1-propylbenzimidazole

2-[(4-fluoro-2-pyridinyl)methyl]-1-propylbenzimidazole (PubChem CID 102824508) has the molecular formula C16H16FN3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-[(4-fluoro-2-pyridinyl)methyl]-1-propylbenzimidazole.

Molecular Properties

Compound Name2-[(4-fluoro-2-pyridinyl)methyl]-1-propylbenzimidazole
PubChem CID102824508
Molecular FormulaC16H16FN3
Molecular Weight269.32 g/mol
Exact Mass269.13
IUPAC Name2-[(4-fluoro-2-pyridinyl)methyl]-1-propylbenzimidazole
SMILESCCCn1c(Cc2cc(F)ccn2)nc2ccccc21
InChIInChI=1S/C16H16FN3/c1-2-9-20-15-6-4-3-5-14(15)19-16(20)11-13-10-12(17)7-8-18-13/h3-8,10H,2,9,11H2,1H3
InChIKeyIUEXMEJTJFIWMR-UHFFFAOYSA-N
XLogP3.57
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[(1-propylbenzimidazol-2-yl)methyl]pyridin-4-amine
CID 102824874
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
2-[(2-chloro-6-methylpyrimidin-4-yl)methyl]-1-propylbenzimidazole
CID 79754826
2-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]phenol
CID 80723234
N-methyl-6-[(1-propylbenzimidazol-2-yl)methyl]pyridin-2-amine
CID 79755294
trifluoro-[(1-propylbenzimidazol-2-yl)methyl]boranuide
CID 79753961
1-propyl-2-[(1-propylbenzimidazol-2-yl)methoxymethyl]benzimidazole
CID 11302951
N-methyl-6-[(1-propylbenzimidazol-2-yl)methyl]pyridazin-3-amine
CID 79755479
[5-[(1-propylbenzimidazol-2-yl)methyl]thiophen-2-yl]methanamine
CID 79753969
N-methyl-3-[(1-propylbenzimidazol-2-yl)methyl]aniline
CID 106505787
2-[(4-bromopyrimidin-5-yl)methyl]-1-propylbenzimidazole
CID 105371351
2-(chloromethyl)-6-fluoro-1-propylbenzimidazole
CID 62378241

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2-pyridinyl)methyl]-1-propylbenzimidazole?
The IUPAC name of 2-[(4-fluoro-2-pyridinyl)methyl]-1-propylbenzimidazole (CID 102824508) is 2-[(4-fluoro-2-pyridinyl)methyl]-1-propylbenzimidazole.
What is the SMILES notation for 2-[(4-fluoro-2-pyridinyl)methyl]-1-propylbenzimidazole?
The canonical SMILES for 2-[(4-fluoro-2-pyridinyl)methyl]-1-propylbenzimidazole is CCCn1c(Cc2cc(F)ccn2)nc2ccccc21.
What is the InChIKey of 2-[(4-fluoro-2-pyridinyl)methyl]-1-propylbenzimidazole?
The InChIKey is IUEXMEJTJFIWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3/c1-2-9-20-15-6-4-3-5-14(15)19-16(20)11-13-10-12(17)7-8-18-13/h3-8,10H,2,9,11H2,1H3.
What are the key properties of 2-[(4-fluoro-2-pyridinyl)methyl]-1-propylbenzimidazole?
2-[(4-fluoro-2-pyridinyl)methyl]-1-propylbenzimidazole has a molecular weight of 269.32 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2-pyridinyl)methyl]-1-propylbenzimidazole is sourced from PubChem (CID 102824508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).