N-[(4-fluorophenyl)methyl]-2-[1-[1-(3-methylphenyl)benzimidazole-5-carbonyl]piperidin-3-yl]acetamide

C29H29FN4O2 — CID 166375521

IUPACN-[(4-fluorophenyl)methyl]-2-[1-[1-(3-methylphenyl)benzimidazole-5-carbonyl]piperidin-3-yl]acetamide
SMILESCc1cccc(-n2cnc3cc(C(=O)N4CCCC(CC(=O)NCc5ccc(F)cc5)C4)ccc32)c1
InChIInChI=1S/C29H29FN4O2/c1-20-4-2-6-25(14-20)34-19-32-26-16-23(9-12-27(26)34)29(36)33-13-3-5-22(18-33)15-28(35)31-17-21-7-10-24(30)11-8-21/h2,4,6-12,14,16,19,22H,3,5,13,15,17-18H2,1H3,(H,31,35)
InChIKeyQHWJZUBWABTMNG-UHFFFAOYSA-N
MW484.58 g/mol
LogP5.03
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-2-[1-[1-(3-methylphenyl)benzimidazole-5-carbonyl]piperidin-3-yl]acetamide

N-[(4-fluorophenyl)methyl]-2-[1-[1-(3-methylphenyl)benzimidazole-5-carbonyl]piperidin-3-yl]acetamide (PubChem CID 166375521) has the molecular formula C29H29FN4O2 and a molecular weight of 484.58 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[1-[1-(3-methylphenyl)benzimidazole-5-carbonyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[1-[1-(3-methylphenyl)benzimidazole-5-carbonyl]piperidin-3-yl]acetamide
PubChem CID166375521
Molecular FormulaC29H29FN4O2
Molecular Weight484.58 g/mol
Exact Mass484.23
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[1-[1-(3-methylphenyl)benzimidazole-5-carbonyl]piperidin-3-yl]acetamide
SMILESCc1cccc(-n2cnc3cc(C(=O)N4CCCC(CC(=O)NCc5ccc(F)cc5)C4)ccc32)c1
InChIInChI=1S/C29H29FN4O2/c1-20-4-2-6-25(14-20)34-19-32-26-16-23(9-12-27(26)34)29(36)33-13-3-5-22(18-33)15-28(35)31-17-21-7-10-24(30)11-8-21/h2,4,6-12,14,16,19,22H,3,5,13,15,17-18H2,1H3,(H,31,35)
InChIKeyQHWJZUBWABTMNG-UHFFFAOYSA-N
XLogP5.03
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.58
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-fluorophenyl)methyl]-2-[1-[1-(3-methylphenyl)benzimidazole-5-carbonyl]piperidin-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[(dimethylamino)methyl]azetidin-1-yl]-[1-(3-methylphenyl)benzimidazol-5-yl]methanone
CID 136553899
N-[(4-fluorophenyl)methyl]-2-[1-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)piperidin-3-yl]acetamide
CID 167955376
3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl-[1-(3-methylphenyl)benzimidazol-5-yl]methanone
CID 136553770
2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide
CID 124943780
1-(3-methylphenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzimidazole-5-carboxamide
CID 154851573
N-[(4-fluorophenyl)methyl]-2-[1-(1-oxo-2H-isoquinoline-4-carbonyl)piperidin-3-yl]acetamide
CID 166376867
2-[(3S)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]acetic acid
CID 124985657
[1-(3-chlorophenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone
CID 156810853
1-(3-methylphenyl)-N-propylbenzimidazole-5-carboxamide
CID 3279711
[1-(3-methylphenyl)benzimidazol-5-yl]-(5-oxa-2-azaspiro[3.4]octan-2-yl)methanone
CID 167750239
[4-(benzimidazol-1-yl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119488829
1-(3,5-dimethylbenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 46488775

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[1-[1-(3-methylphenyl)benzimidazole-5-carbonyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[1-[1-(3-methylphenyl)benzimidazole-5-carbonyl]piperidin-3-yl]acetamide (CID 166375521) is N-[(4-fluorophenyl)methyl]-2-[1-[1-(3-methylphenyl)benzimidazole-5-carbonyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[1-[1-(3-methylphenyl)benzimidazole-5-carbonyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[1-[1-(3-methylphenyl)benzimidazole-5-carbonyl]piperidin-3-yl]acetamide is Cc1cccc(-n2cnc3cc(C(=O)N4CCCC(CC(=O)NCc5ccc(F)cc5)C4)ccc32)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[1-[1-(3-methylphenyl)benzimidazole-5-carbonyl]piperidin-3-yl]acetamide?
The InChIKey is QHWJZUBWABTMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN4O2/c1-20-4-2-6-25(14-20)34-19-32-26-16-23(9-12-27(26)34)29(36)33-13-3-5-22(18-33)15-28(35)31-17-21-7-10-24(30)11-8-21/h2,4,6-12,14,16,19,22H,3,5,13,15,17-18H2,1H3,(H,31,35).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[1-[1-(3-methylphenyl)benzimidazole-5-carbonyl]piperidin-3-yl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[1-[1-(3-methylphenyl)benzimidazole-5-carbonyl]piperidin-3-yl]acetamide has a molecular weight of 484.58 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[1-[1-(3-methylphenyl)benzimidazole-5-carbonyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 166375521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).