N-[3-ethyl-2-(2-fluorophenyl)-6-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]benzimidazol-4-yl]acetamide

C28H28FN5O2 — CID 29183713

IUPACN-[3-ethyl-2-(2-fluorophenyl)-6-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]benzimidazol-4-yl]acetamide
SMILESCCn1c(-c2ccccc2F)nc2cc(C(=O)N3CCCC[C@@H]3c3ccccn3)cc(NC(C)=O)c21
InChIInChI=1S/C28H28FN5O2/c1-3-33-26-23(31-18(2)35)16-19(17-24(26)32-27(33)20-10-4-5-11-21(20)29)28(36)34-15-9-7-13-25(34)22-12-6-8-14-30-22/h4-6,8,10-12,14,16-17,25H,3,7,9,13,15H2,1-2H3,(H,31,35)/t25-/m1/s1
InChIKeyTZTVYNZFXKIIKY-RUZDIDTESA-N
MW485.56 g/mol
LogP5.58
Rot. Bonds5

About N-[3-ethyl-2-(2-fluorophenyl)-6-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]benzimidazol-4-yl]acetamide

N-[3-ethyl-2-(2-fluorophenyl)-6-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]benzimidazol-4-yl]acetamide (PubChem CID 29183713) has the molecular formula C28H28FN5O2 and a molecular weight of 485.56 g/mol. Its IUPAC name is N-[3-ethyl-2-(2-fluorophenyl)-6-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]benzimidazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[3-ethyl-2-(2-fluorophenyl)-6-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]benzimidazol-4-yl]acetamide
PubChem CID29183713
Molecular FormulaC28H28FN5O2
Molecular Weight485.56 g/mol
Exact Mass485.22
IUPAC NameN-[3-ethyl-2-(2-fluorophenyl)-6-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]benzimidazol-4-yl]acetamide
SMILESCCn1c(-c2ccccc2F)nc2cc(C(=O)N3CCCC[C@@H]3c3ccccn3)cc(NC(C)=O)c21
InChIInChI=1S/C28H28FN5O2/c1-3-33-26-23(31-18(2)35)16-19(17-24(26)32-27(33)20-10-4-5-11-21(20)29)28(36)34-15-9-7-13-25(34)22-12-6-8-14-30-22/h4-6,8,10-12,14,16-17,25H,3,7,9,13,15H2,1-2H3,(H,31,35)/t25-/m1/s1
InChIKeyTZTVYNZFXKIIKY-RUZDIDTESA-N
XLogP5.58
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.56
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 97144676
(2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 95894350
6-acetamido-3-ethyl-2-(2-fluorophenyl)-N-[(3S)-2-oxoazepan-3-yl]benzimidazole-4-carboxamide
CID 42375992
N-[2-benzyl-1-methyl-7-[(2S)-2-pyridin-2-ylpiperidine-1-carbonyl]benzimidazol-5-yl]propanamide
CID 125167750
3-(2-methylbenzimidazol-1-yl)-1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one
CID 99947323
1,3-benzodioxol-5-yl-(2-pyridin-2-ylpiperidin-1-yl)methanone
CID 70759267
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone
CID 70782488
2-(benzotriazol-2-yl)-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone
CID 77091255
(2-pyridin-2-ylpiperidin-1-yl)-(2,3,6-trimethylquinolin-4-yl)methanone
CID 72876256
(5-methyl-1,3-oxazol-4-yl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 95871537
4-(2-pyridin-2-ylpiperidine-1-carbonyl)benzenesulfonamide
CID 77093447
(2-chloro-4,5-difluorophenyl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 94803151

Frequently Asked Questions

What is the IUPAC name of N-[3-ethyl-2-(2-fluorophenyl)-6-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]benzimidazol-4-yl]acetamide?
The IUPAC name of N-[3-ethyl-2-(2-fluorophenyl)-6-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]benzimidazol-4-yl]acetamide (CID 29183713) is N-[3-ethyl-2-(2-fluorophenyl)-6-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]benzimidazol-4-yl]acetamide.
What is the SMILES notation for N-[3-ethyl-2-(2-fluorophenyl)-6-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]benzimidazol-4-yl]acetamide?
The canonical SMILES for N-[3-ethyl-2-(2-fluorophenyl)-6-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]benzimidazol-4-yl]acetamide is CCn1c(-c2ccccc2F)nc2cc(C(=O)N3CCCC[C@@H]3c3ccccn3)cc(NC(C)=O)c21.
What is the InChIKey of N-[3-ethyl-2-(2-fluorophenyl)-6-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]benzimidazol-4-yl]acetamide?
The InChIKey is TZTVYNZFXKIIKY-RUZDIDTESA-N. The full InChI is InChI=1S/C28H28FN5O2/c1-3-33-26-23(31-18(2)35)16-19(17-24(26)32-27(33)20-10-4-5-11-21(20)29)28(36)34-15-9-7-13-25(34)22-12-6-8-14-30-22/h4-6,8,10-12,14,16-17,25H,3,7,9,13,15H2,1-2H3,(H,31,35)/t25-/m1/s1.
What are the key properties of N-[3-ethyl-2-(2-fluorophenyl)-6-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]benzimidazol-4-yl]acetamide?
N-[3-ethyl-2-(2-fluorophenyl)-6-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]benzimidazol-4-yl]acetamide has a molecular weight of 485.56 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethyl-2-(2-fluorophenyl)-6-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]benzimidazol-4-yl]acetamide is sourced from PubChem (CID 29183713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).