1-[3-(2,3-dihydro-1-benzofuran-6-yl)-5-(4-fluoro-1H-benzimidazol-2-yl)-4-pyridinyl]pyrrolidin-3-amine

C24H22FN5O — CID 139392789

IUPAC1-[3-(2,3-dihydro-1-benzofuran-6-yl)-5-(4-fluoro-1H-benzimidazol-2-yl)-4-pyridinyl]pyrrolidin-3-amine
SMILESNC1CCN(c2c(-c3ccc4c(c3)OCC4)cncc2-c2nc3c(F)cccc3[nH]2)C1
InChIInChI=1S/C24H22FN5O/c25-19-2-1-3-20-22(19)29-24(28-20)18-12-27-11-17(23(18)30-8-6-16(26)13-30)15-5-4-14-7-9-31-21(14)10-15/h1-5,10-12,16H,6-9,13,26H2,(H,28,29)
InChIKeyZRWJINGOSDMPKT-UHFFFAOYSA-N
MW415.47 g/mol
LogP3.90
Rot. Bonds3

About 1-[3-(2,3-dihydro-1-benzofuran-6-yl)-5-(4-fluoro-1H-benzimidazol-2-yl)-4-pyridinyl]pyrrolidin-3-amine

1-[3-(2,3-dihydro-1-benzofuran-6-yl)-5-(4-fluoro-1H-benzimidazol-2-yl)-4-pyridinyl]pyrrolidin-3-amine (PubChem CID 139392789) has the molecular formula C24H22FN5O and a molecular weight of 415.47 g/mol. Its IUPAC name is 1-[3-(2,3-dihydro-1-benzofuran-6-yl)-5-(4-fluoro-1H-benzimidazol-2-yl)-4-pyridinyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[3-(2,3-dihydro-1-benzofuran-6-yl)-5-(4-fluoro-1H-benzimidazol-2-yl)-4-pyridinyl]pyrrolidin-3-amine
PubChem CID139392789
Molecular FormulaC24H22FN5O
Molecular Weight415.47 g/mol
Exact Mass415.18
IUPAC Name1-[3-(2,3-dihydro-1-benzofuran-6-yl)-5-(4-fluoro-1H-benzimidazol-2-yl)-4-pyridinyl]pyrrolidin-3-amine
SMILESNC1CCN(c2c(-c3ccc4c(c3)OCC4)cncc2-c2nc3c(F)cccc3[nH]2)C1
InChIInChI=1S/C24H22FN5O/c25-19-2-1-3-20-22(19)29-24(28-20)18-12-27-11-17(23(18)30-8-6-16(26)13-30)15-5-4-14-7-9-31-21(14)10-15/h1-5,10-12,16H,6-9,13,26H2,(H,28,29)
InChIKeyZRWJINGOSDMPKT-UHFFFAOYSA-N
XLogP3.90
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-[(3S)-3-aminopyrrolidin-1-yl]-5-(4,5-difluoro-1H-benzimidazol-2-yl)-3-pyridinyl]-2-fluorobenzonitrile
CID 139392794
3-[4-(3-amino-4-fluoropyrrolidin-1-yl)-5-(4-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]benzonitrile
CID 139392805
1-[3-(4-fluoro-1H-benzimidazol-2-yl)-5-(1H-indol-5-yl)-4-pyridinyl]-3-methylpyrrolidin-3-amine
CID 139392696
1-[3-(4,6-dimethyl-1H-benzimidazol-2-yl)-5-(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine
CID 72943279
3-[4-(3-amino-3-methylpyrrolidin-1-yl)-5-(4-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzamide
CID 139392773
(3S)-1-[3-(4-fluoro-1H-benzimidazol-2-yl)-5-[2-(trifluoromethyl)-4-pyridinyl]-4-pyridinyl]-3-methylpyrrolidin-3-amine
CID 139392551
[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-benzimidazol-4-yl]methanamine
CID 104721133
(3S,4R)-4-amino-1-[3-(2,5-difluorophenyl)-5-(6-fluoro-4-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-3-ol
CID 153305843
5-[4-(3-amino-3-methylpyrrolidin-1-yl)-5-(4-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]-2-fluorobenzamide
CID 139392846
1-[3-(3,5-dimethylphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine
CID 164623072
1-[6-[6-(2,6-difluorophenyl)-3H-isoindol-1-yl]pyrazin-2-yl]piperidin-3-amine
CID 157468015
1-[6-[6-(2,6-difluorophenyl)-3H-inden-1-yl]pyrazin-2-yl]piperidin-3-amine
CID 161170313

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dihydro-1-benzofuran-6-yl)-5-(4-fluoro-1H-benzimidazol-2-yl)-4-pyridinyl]pyrrolidin-3-amine?
The IUPAC name of 1-[3-(2,3-dihydro-1-benzofuran-6-yl)-5-(4-fluoro-1H-benzimidazol-2-yl)-4-pyridinyl]pyrrolidin-3-amine (CID 139392789) is 1-[3-(2,3-dihydro-1-benzofuran-6-yl)-5-(4-fluoro-1H-benzimidazol-2-yl)-4-pyridinyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[3-(2,3-dihydro-1-benzofuran-6-yl)-5-(4-fluoro-1H-benzimidazol-2-yl)-4-pyridinyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[3-(2,3-dihydro-1-benzofuran-6-yl)-5-(4-fluoro-1H-benzimidazol-2-yl)-4-pyridinyl]pyrrolidin-3-amine is NC1CCN(c2c(-c3ccc4c(c3)OCC4)cncc2-c2nc3c(F)cccc3[nH]2)C1.
What is the InChIKey of 1-[3-(2,3-dihydro-1-benzofuran-6-yl)-5-(4-fluoro-1H-benzimidazol-2-yl)-4-pyridinyl]pyrrolidin-3-amine?
The InChIKey is ZRWJINGOSDMPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O/c25-19-2-1-3-20-22(19)29-24(28-20)18-12-27-11-17(23(18)30-8-6-16(26)13-30)15-5-4-14-7-9-31-21(14)10-15/h1-5,10-12,16H,6-9,13,26H2,(H,28,29).
What are the key properties of 1-[3-(2,3-dihydro-1-benzofuran-6-yl)-5-(4-fluoro-1H-benzimidazol-2-yl)-4-pyridinyl]pyrrolidin-3-amine?
1-[3-(2,3-dihydro-1-benzofuran-6-yl)-5-(4-fluoro-1H-benzimidazol-2-yl)-4-pyridinyl]pyrrolidin-3-amine has a molecular weight of 415.47 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-dihydro-1-benzofuran-6-yl)-5-(4-fluoro-1H-benzimidazol-2-yl)-4-pyridinyl]pyrrolidin-3-amine is sourced from PubChem (CID 139392789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).