2-(3-fluorophenyl)-N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-4-oxo-N-propylpiperidine-1-carboxamide

C31H33FN4O2 — CID 67631257

IUPAC2-(3-fluorophenyl)-N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-4-oxo-N-propylpiperidine-1-carboxamide
SMILESCCCN(Cc1cc(-c2ccc3nc(C)[nH]c3c2)ccc1C)C(=O)N1CCC(=O)CC1c1cccc(F)c1
InChIInChI=1S/C31H33FN4O2/c1-4-13-35(31(38)36-14-12-27(37)18-30(36)24-6-5-7-26(32)16-24)19-25-15-22(9-8-20(25)2)23-10-11-28-29(17-23)34-21(3)33-28/h5-11,15-17,30H,4,12-14,18-19H2,1-3H3,(H,33,34)
InChIKeyYKBGTEMAUQHEKD-UHFFFAOYSA-N
MW512.63 g/mol
LogP6.72
Rot. Bonds6

About 2-(3-fluorophenyl)-N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-4-oxo-N-propylpiperidine-1-carboxamide

2-(3-fluorophenyl)-N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-4-oxo-N-propylpiperidine-1-carboxamide (PubChem CID 67631257) has the molecular formula C31H33FN4O2 and a molecular weight of 512.63 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-4-oxo-N-propylpiperidine-1-carboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-4-oxo-N-propylpiperidine-1-carboxamide
PubChem CID67631257
Molecular FormulaC31H33FN4O2
Molecular Weight512.63 g/mol
Exact Mass512.26
IUPAC Name2-(3-fluorophenyl)-N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-4-oxo-N-propylpiperidine-1-carboxamide
SMILESCCCN(Cc1cc(-c2ccc3nc(C)[nH]c3c2)ccc1C)C(=O)N1CCC(=O)CC1c1cccc(F)c1
InChIInChI=1S/C31H33FN4O2/c1-4-13-35(31(38)36-14-12-27(37)18-30(36)24-6-5-7-26(32)16-24)19-25-15-22(9-8-20(25)2)23-10-11-28-29(17-23)34-21(3)33-28/h5-11,15-17,30H,4,12-14,18-19H2,1-3H3,(H,33,34)
InChIKeyYKBGTEMAUQHEKD-UHFFFAOYSA-N
XLogP6.72
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.63
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-fluorophenyl)-N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-4-oxo-N-propylpiperidine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-2-phenyl-N-propylpiperidine-1-carboxamide
CID 123454273
N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-N-propylbenzamide
CID 70211427
4-cyano-4-methyl-N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-N-propylpiperidine-1-carboxamide
CID 90995136
1-ethyl-5-fluoro-N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-N-propylindole-2-carboxamide
CID 70211828
N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]propan-1-amine
CID 91133525
1-[(3aR,4R,6aS)-4-(3-fluorophenyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(2-methyl-3H-benzimidazol-5-yl)ethanone;dihydrochloride
CID 171325777
(3-fluorophenyl)-[4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]methanone
CID 110802344
2-(3-fluorophenyl)-1-[2-[8-(1H-imidazo[4,5-b]pyridin-6-yl)-5-methyl-3,4,5,6-tetrahydro-2H-1-benzoxocin-4-yl]acetyl]piperidin-4-one
CID 91609837
[2-(3-fluoro-4-methylphenyl)piperidin-1-yl]-[7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone
CID 67514630
[2-(3,5-difluorophenyl)piperidin-1-yl]-[7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone
CID 67518347
(2S)-2-(3-fluorophenyl)-N-propylpyrrolidine-1-carboxamide
CID 95053549
5-[2-(3-fluorophenyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide
CID 120736864

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-4-oxo-N-propylpiperidine-1-carboxamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-4-oxo-N-propylpiperidine-1-carboxamide (CID 67631257) is 2-(3-fluorophenyl)-N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-4-oxo-N-propylpiperidine-1-carboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-4-oxo-N-propylpiperidine-1-carboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-4-oxo-N-propylpiperidine-1-carboxamide is CCCN(Cc1cc(-c2ccc3nc(C)[nH]c3c2)ccc1C)C(=O)N1CCC(=O)CC1c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-4-oxo-N-propylpiperidine-1-carboxamide?
The InChIKey is YKBGTEMAUQHEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33FN4O2/c1-4-13-35(31(38)36-14-12-27(37)18-30(36)24-6-5-7-26(32)16-24)19-25-15-22(9-8-20(25)2)23-10-11-28-29(17-23)34-21(3)33-28/h5-11,15-17,30H,4,12-14,18-19H2,1-3H3,(H,33,34).
What are the key properties of 2-(3-fluorophenyl)-N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-4-oxo-N-propylpiperidine-1-carboxamide?
2-(3-fluorophenyl)-N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-4-oxo-N-propylpiperidine-1-carboxamide has a molecular weight of 512.63 g/mol, XLogP of 6.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-4-oxo-N-propylpiperidine-1-carboxamide is sourced from PubChem (CID 67631257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).