1-[3-(3-fluoro-5-methoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine

C25H26FN5O — CID 118057812

IUPAC1-[3-(3-fluoro-5-methoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine
SMILESCOc1cc(F)cc(-c2cncc(-c3nc4ccc(C)cc4[nH]3)c2N2CCC(N)CC2)c1
InChIInChI=1S/C25H26FN5O/c1-15-3-4-22-23(9-15)30-25(29-22)21-14-28-13-20(16-10-17(26)12-19(11-16)32-2)24(21)31-7-5-18(27)6-8-31/h3-4,9-14,18H,5-8,27H2,1-2H3,(H,29,30)
InChIKeyCXXGRVCVZZMPOL-UHFFFAOYSA-N
MW431.52 g/mol
LogP4.68
Rot. Bonds4

About 1-[3-(3-fluoro-5-methoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine

1-[3-(3-fluoro-5-methoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine (PubChem CID 118057812) has the molecular formula C25H26FN5O and a molecular weight of 431.52 g/mol. Its IUPAC name is 1-[3-(3-fluoro-5-methoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[3-(3-fluoro-5-methoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine
PubChem CID118057812
Molecular FormulaC25H26FN5O
Molecular Weight431.52 g/mol
Exact Mass431.21
IUPAC Name1-[3-(3-fluoro-5-methoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine
SMILESCOc1cc(F)cc(-c2cncc(-c3nc4ccc(C)cc4[nH]3)c2N2CCC(N)CC2)c1
InChIInChI=1S/C25H26FN5O/c1-15-3-4-22-23(9-15)30-25(29-22)21-14-28-13-20(16-10-17(26)12-19(11-16)32-2)24(21)31-7-5-18(27)6-8-31/h3-4,9-14,18H,5-8,27H2,1-2H3,(H,29,30)
InChIKeyCXXGRVCVZZMPOL-UHFFFAOYSA-N
XLogP4.68
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluoro-5-methoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine?
The IUPAC name of 1-[3-(3-fluoro-5-methoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine (CID 118057812) is 1-[3-(3-fluoro-5-methoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine.
What is the SMILES notation for 1-[3-(3-fluoro-5-methoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine?
The canonical SMILES for 1-[3-(3-fluoro-5-methoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine is COc1cc(F)cc(-c2cncc(-c3nc4ccc(C)cc4[nH]3)c2N2CCC(N)CC2)c1.
What is the InChIKey of 1-[3-(3-fluoro-5-methoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine?
The InChIKey is CXXGRVCVZZMPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O/c1-15-3-4-22-23(9-15)30-25(29-22)21-14-28-13-20(16-10-17(26)12-19(11-16)32-2)24(21)31-7-5-18(27)6-8-31/h3-4,9-14,18H,5-8,27H2,1-2H3,(H,29,30).
What are the key properties of 1-[3-(3-fluoro-5-methoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine?
1-[3-(3-fluoro-5-methoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine has a molecular weight of 431.52 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-fluoro-5-methoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine is sourced from PubChem (CID 118057812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).