6-fluoro-2-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]-1H-benzimidazole

C19H24FN5O — CID 91834299

IUPAC6-fluoro-2-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]-1H-benzimidazole
SMILESCOCCn1cncc1CN1CCC(c2nc3ccc(F)cc3[nH]2)CC1
InChIInChI=1S/C19H24FN5O/c1-26-9-8-25-13-21-11-16(25)12-24-6-4-14(5-7-24)19-22-17-3-2-15(20)10-18(17)23-19/h2-3,10-11,13-14H,4-9,12H2,1H3,(H,22,23)
InChIKeyBZGHWOBCTJMVAC-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.92
Rot. Bonds6

About 6-fluoro-2-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]-1H-benzimidazole

6-fluoro-2-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]-1H-benzimidazole (PubChem CID 91834299) has the molecular formula C19H24FN5O and a molecular weight of 357.43 g/mol. Its IUPAC name is 6-fluoro-2-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-fluoro-2-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]-1H-benzimidazole
PubChem CID91834299
Molecular FormulaC19H24FN5O
Molecular Weight357.43 g/mol
Exact Mass357.20
IUPAC Name6-fluoro-2-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]-1H-benzimidazole
SMILESCOCCn1cncc1CN1CCC(c2nc3ccc(F)cc3[nH]2)CC1
InChIInChI=1S/C19H24FN5O/c1-26-9-8-25-13-21-11-16(25)12-24-6-4-14(5-7-24)19-22-17-3-2-15(20)10-18(17)23-19/h2-3,10-11,13-14H,4-9,12H2,1H3,(H,22,23)
InChIKeyBZGHWOBCTJMVAC-UHFFFAOYSA-N
XLogP2.92
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]-1H-benzimidazole?
The IUPAC name of 6-fluoro-2-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]-1H-benzimidazole (CID 91834299) is 6-fluoro-2-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]-1H-benzimidazole.
What is the SMILES notation for 6-fluoro-2-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]-1H-benzimidazole?
The canonical SMILES for 6-fluoro-2-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]-1H-benzimidazole is COCCn1cncc1CN1CCC(c2nc3ccc(F)cc3[nH]2)CC1.
What is the InChIKey of 6-fluoro-2-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]-1H-benzimidazole?
The InChIKey is BZGHWOBCTJMVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O/c1-26-9-8-25-13-21-11-16(25)12-24-6-4-14(5-7-24)19-22-17-3-2-15(20)10-18(17)23-19/h2-3,10-11,13-14H,4-9,12H2,1H3,(H,22,23).
What are the key properties of 6-fluoro-2-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]-1H-benzimidazole?
6-fluoro-2-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]-1H-benzimidazole has a molecular weight of 357.43 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]-1H-benzimidazole is sourced from PubChem (CID 91834299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).