1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-propan-2-yl-N-propylpiperidine-4-carboxamide

C26H33FN4O — CID 124805655

IUPAC1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-propan-2-yl-N-propylpiperidine-4-carboxamide
SMILESCCCN(C(=O)C1CCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)CC1)C(C)C
InChIInChI=1S/C26H33FN4O/c1-4-15-30(19(2)3)26(32)20-13-16-29(17-14-20)18-25-28-23-7-5-6-8-24(23)31(25)22-11-9-21(27)10-12-22/h5-12,19-20H,4,13-18H2,1-3H3
InChIKeyKQLAHVDNWMRDKG-UHFFFAOYSA-N
MW436.58 g/mol
LogP5.02
Rot. Bonds7

About 1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-propan-2-yl-N-propylpiperidine-4-carboxamide

1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-propan-2-yl-N-propylpiperidine-4-carboxamide (PubChem CID 124805655) has the molecular formula C26H33FN4O and a molecular weight of 436.58 g/mol. Its IUPAC name is 1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-propan-2-yl-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-propan-2-yl-N-propylpiperidine-4-carboxamide
PubChem CID124805655
Molecular FormulaC26H33FN4O
Molecular Weight436.58 g/mol
Exact Mass436.26
IUPAC Name1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-propan-2-yl-N-propylpiperidine-4-carboxamide
SMILESCCCN(C(=O)C1CCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)CC1)C(C)C
InChIInChI=1S/C26H33FN4O/c1-4-15-30(19(2)3)26(32)20-13-16-29(17-14-20)18-25-28-23-7-5-6-8-24(23)31(25)22-11-9-21(27)10-12-22/h5-12,19-20H,4,13-18H2,1-3H3
InChIKeyKQLAHVDNWMRDKG-UHFFFAOYSA-N
XLogP5.02
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.58
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dibutyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 124823903
N-butyl-N-ethyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 124825915
1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N-butyl-N-propan-2-ylpiperidine-4-carboxamide
CID 124809772
1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 124914150
(3R)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N,N-dipropylpiperidine-3-carboxamide
CID 124808449
[1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 124791723
(3R)-N-ethyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-propylpiperidine-3-carboxamide
CID 124824164
(3S)-N-butyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-propylpiperidine-3-carboxamide
CID 124810168
1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-butyl-N-ethylpiperidine-4-carboxamide
CID 124824843
1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-4-carboxamide
CID 124808590
N-[(4-fluorophenyl)methyl]-1-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 55837397
N-[(4-bromophenyl)methyl]-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 124782733

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-propan-2-yl-N-propylpiperidine-4-carboxamide?
The IUPAC name of 1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-propan-2-yl-N-propylpiperidine-4-carboxamide (CID 124805655) is 1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-propan-2-yl-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-propan-2-yl-N-propylpiperidine-4-carboxamide?
The canonical SMILES for 1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-propan-2-yl-N-propylpiperidine-4-carboxamide is CCCN(C(=O)C1CCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)CC1)C(C)C.
What is the InChIKey of 1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-propan-2-yl-N-propylpiperidine-4-carboxamide?
The InChIKey is KQLAHVDNWMRDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN4O/c1-4-15-30(19(2)3)26(32)20-13-16-29(17-14-20)18-25-28-23-7-5-6-8-24(23)31(25)22-11-9-21(27)10-12-22/h5-12,19-20H,4,13-18H2,1-3H3.
What are the key properties of 1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-propan-2-yl-N-propylpiperidine-4-carboxamide?
1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-propan-2-yl-N-propylpiperidine-4-carboxamide has a molecular weight of 436.58 g/mol, XLogP of 5.02, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-propan-2-yl-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 124805655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).