5-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-piperidin-1-ylpentan-1-amine

C24H31FN4 — CID 67872431

IUPAC5-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-piperidin-1-ylpentan-1-amine
SMILESNC(CCCCc1nc2ccccc2n1Cc1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C24H31FN4/c25-20-14-12-19(13-15-20)18-29-22-9-3-2-8-21(22)27-24(29)11-5-4-10-23(26)28-16-6-1-7-17-28/h2-3,8-9,12-15,23H,1,4-7,10-11,16-18,26H2
InChIKeyLCEVNUHPUGILQV-UHFFFAOYSA-N
MW394.54 g/mol
LogP4.71
Rot. Bonds8

About 5-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-piperidin-1-ylpentan-1-amine

5-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-piperidin-1-ylpentan-1-amine (PubChem CID 67872431) has the molecular formula C24H31FN4 and a molecular weight of 394.54 g/mol. Its IUPAC name is 5-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-piperidin-1-ylpentan-1-amine.

Molecular Properties

Compound Name5-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-piperidin-1-ylpentan-1-amine
PubChem CID67872431
Molecular FormulaC24H31FN4
Molecular Weight394.54 g/mol
Exact Mass394.25
IUPAC Name5-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-piperidin-1-ylpentan-1-amine
SMILESNC(CCCCc1nc2ccccc2n1Cc1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C24H31FN4/c25-20-14-12-19(13-15-20)18-29-22-9-3-2-8-21(22)27-24(29)11-5-4-10-23(26)28-16-6-1-7-17-28/h2-3,8-9,12-15,23H,1,4-7,10-11,16-18,26H2
InChIKeyLCEVNUHPUGILQV-UHFFFAOYSA-N
XLogP4.71
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[1-(furan-2-ylmethyl)benzimidazol-2-yl]-1-piperidin-1-ylpentan-1-amine
CID 67871878
2-[1-(azepan-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]benzimidazole
CID 18885276
N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981643
1-benzyl-2-[3-(1-benzylbenzimidazol-2-yl)propyl]benzimidazole
CID 21369618
2-benzyl-1-[(4-fluorophenyl)methyl]benzimidazole
CID 709541
4-[(2-butylbenzimidazol-1-yl)methyl]aniline
CID 54524981
1-benzyl-2-(piperidin-1-ylmethyl)benzimidazole
CID 2986295
1-[(4-fluorophenyl)methyl]-2-[(4-propylpiperazin-1-yl)methyl]benzimidazole
CID 54195084
N-[2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
CID 976977
1-[(4-chlorophenyl)methyl]-2-pentylbenzimidazole
CID 4627166
N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide
CID 16982068
2-[3-(azepan-1-yl)propyl]-1-[(3-chlorophenyl)methyl]benzimidazole
CID 18885630

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-piperidin-1-ylpentan-1-amine?
The IUPAC name of 5-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-piperidin-1-ylpentan-1-amine (CID 67872431) is 5-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-piperidin-1-ylpentan-1-amine.
What is the SMILES notation for 5-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-piperidin-1-ylpentan-1-amine?
The canonical SMILES for 5-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-piperidin-1-ylpentan-1-amine is NC(CCCCc1nc2ccccc2n1Cc1ccc(F)cc1)N1CCCCC1.
What is the InChIKey of 5-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-piperidin-1-ylpentan-1-amine?
The InChIKey is LCEVNUHPUGILQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4/c25-20-14-12-19(13-15-20)18-29-22-9-3-2-8-21(22)27-24(29)11-5-4-10-23(26)28-16-6-1-7-17-28/h2-3,8-9,12-15,23H,1,4-7,10-11,16-18,26H2.
What are the key properties of 5-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-piperidin-1-ylpentan-1-amine?
5-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-piperidin-1-ylpentan-1-amine has a molecular weight of 394.54 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-piperidin-1-ylpentan-1-amine is sourced from PubChem (CID 67872431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).