1-[2-[[3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methylamino]ethyl]pyrrolidin-3-amine

C26H28FN5 — CID 44526345

IUPAC1-[2-[[3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methylamino]ethyl]pyrrolidin-3-amine
SMILESNC1CCN(CCNCc2cccc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)cc3)c2)C1
InChIInChI=1S/C26H28FN5/c27-22-8-9-24-25(15-22)31-26(30-24)20-6-4-19(5-7-20)21-3-1-2-18(14-21)16-29-11-13-32-12-10-23(28)17-32/h1-9,14-15,23,29H,10-13,16-17,28H2,(H,30,31)
InChIKeyRYIGIJLEJANSQB-UHFFFAOYSA-N
MW429.54 g/mol
LogP4.16
Rot. Bonds7

About 1-[2-[[3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methylamino]ethyl]pyrrolidin-3-amine

1-[2-[[3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methylamino]ethyl]pyrrolidin-3-amine (PubChem CID 44526345) has the molecular formula C26H28FN5 and a molecular weight of 429.54 g/mol. Its IUPAC name is 1-[2-[[3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methylamino]ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-[[3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methylamino]ethyl]pyrrolidin-3-amine
PubChem CID44526345
Molecular FormulaC26H28FN5
Molecular Weight429.54 g/mol
Exact Mass429.23
IUPAC Name1-[2-[[3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methylamino]ethyl]pyrrolidin-3-amine
SMILESNC1CCN(CCNCc2cccc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)cc3)c2)C1
InChIInChI=1S/C26H28FN5/c27-22-8-9-24-25(15-22)31-26(30-24)20-6-4-19(5-7-20)21-3-1-2-18(14-21)16-29-11-13-32-12-10-23(28)17-32/h1-9,14-15,23,29H,10-13,16-17,28H2,(H,30,31)
InChIKeyRYIGIJLEJANSQB-UHFFFAOYSA-N
XLogP4.16
TPSA69.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methylamino]methyl]aniline
CID 44524923
2-[4-[[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]ethanol
CID 44525119
N-[[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]-2-pyridin-4-ylethanamine;2,2,2-trifluoroacetic acid
CID 44524779
2-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]ethanamine
CID 63793363
1-phenyl-N-[[3-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methyl]methanamine
CID 44524496
1-[[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidin-3-ol
CID 44526297
2-[4-[3-[[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]-6-(trifluoromethyl)-1H-benzimidazole
CID 44526395
N-[3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-methyl-3-(4-methylpiperazin-1-yl)propanamide
CID 44530939
N-[[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]methyl]-2-piperidin-1-ylethanamine
CID 70006976
1-[[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 44524473
6-fluoro-2-[4-[4-[[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]-1H-benzimidazole;2,2,2-trifluoroacetic acid
CID 44526446
6-fluoro-2-[4-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]phenyl]phenyl]-1H-benzimidazole
CID 44525093

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methylamino]ethyl]pyrrolidin-3-amine?
The IUPAC name of 1-[2-[[3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methylamino]ethyl]pyrrolidin-3-amine (CID 44526345) is 1-[2-[[3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methylamino]ethyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[2-[[3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methylamino]ethyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[2-[[3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methylamino]ethyl]pyrrolidin-3-amine is NC1CCN(CCNCc2cccc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)cc3)c2)C1.
What is the InChIKey of 1-[2-[[3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methylamino]ethyl]pyrrolidin-3-amine?
The InChIKey is RYIGIJLEJANSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5/c27-22-8-9-24-25(15-22)31-26(30-24)20-6-4-19(5-7-20)21-3-1-2-18(14-21)16-29-11-13-32-12-10-23(28)17-32/h1-9,14-15,23,29H,10-13,16-17,28H2,(H,30,31).
What are the key properties of 1-[2-[[3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methylamino]ethyl]pyrrolidin-3-amine?
1-[2-[[3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methylamino]ethyl]pyrrolidin-3-amine has a molecular weight of 429.54 g/mol, XLogP of 4.16, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methylamino]ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 44526345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).