N-[2-(3-chlorophenyl)-1-[4-[[4-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]amino]piperidin-1-yl]butyl]-N-methylbenzamide

C37H39ClFN5O — CID 67589469

IUPACN-[2-(3-chlorophenyl)-1-[4-[[4-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]amino]piperidin-1-yl]butyl]-N-methylbenzamide
SMILESCCC(c1cccc(Cl)c1)C(N1CCC(Nc2nc3c(Cc4ccc(F)cc4)cccc3[nH]2)CC1)N(C)C(=O)c1ccccc1
InChIInChI=1S/C37H39ClFN5O/c1-3-32(27-11-7-13-29(38)24-27)35(43(2)36(45)26-9-5-4-6-10-26)44-21-19-31(20-22-44)40-37-41-33-14-8-12-28(34(33)42-37)23-25-15-17-30(39)18-16-25/h4-18,24,31-32,35H,3,19-23H2,1-2H3,(H2,40,41,42)
InChIKeyOSMFSQSNNPTBBD-UHFFFAOYSA-N
MW624.20 g/mol
LogP8.11
Rot. Bonds10

About N-[2-(3-chlorophenyl)-1-[4-[[4-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]amino]piperidin-1-yl]butyl]-N-methylbenzamide

N-[2-(3-chlorophenyl)-1-[4-[[4-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]amino]piperidin-1-yl]butyl]-N-methylbenzamide (PubChem CID 67589469) has the molecular formula C37H39ClFN5O and a molecular weight of 624.20 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-1-[4-[[4-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]amino]piperidin-1-yl]butyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-1-[4-[[4-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]amino]piperidin-1-yl]butyl]-N-methylbenzamide
PubChem CID67589469
Molecular FormulaC37H39ClFN5O
Molecular Weight624.20 g/mol
Exact Mass623.28
IUPAC NameN-[2-(3-chlorophenyl)-1-[4-[[4-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]amino]piperidin-1-yl]butyl]-N-methylbenzamide
SMILESCCC(c1cccc(Cl)c1)C(N1CCC(Nc2nc3c(Cc4ccc(F)cc4)cccc3[nH]2)CC1)N(C)C(=O)c1ccccc1
InChIInChI=1S/C37H39ClFN5O/c1-3-32(27-11-7-13-29(38)24-27)35(43(2)36(45)26-9-5-4-6-10-26)44-21-19-31(20-22-44)40-37-41-33-14-8-12-28(34(33)42-37)23-25-15-17-30(39)18-16-25/h4-18,24,31-32,35H,3,19-23H2,1-2H3,(H2,40,41,42)
InChIKeyOSMFSQSNNPTBBD-UHFFFAOYSA-N
XLogP8.11
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.20
LogP ≤ 58.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(3-chlorophenyl)-1-[4-[[4-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]amino]piperidin-1-yl]butyl]-N-methylbenzamide 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

6-Chloro-1H-benzoimidazole-4-carboxylic acid (1-isobutyl-piperidin-4-ylmethyl)-amide
CID 10472977
6-chloro-2-[1-(propan-2-yl)piperidin-4-yl]-1H-1,3-benzodiazole-4-carboxamide
CID 25190743
6-Chloro-1H-benzoimidazole-4-carboxylic acid (1-butyl-piperidin-4-ylmethyl)-amide
CID 10089141
6-Chloro-1H-benzoimidazole-4-carboxylic acid (1-pentyl-piperidin-4-ylmethyl)-amide
CID 44327645
(4-(1H-benzo[d]imidazol-2-yl)piperidin-1-yl)(3-chlorophenyl)methanone
CID 1430052
4-(5-Chlorobenzimidazol-2-yl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-benzamide
CID 9845284
N-(3-(1-(3-(1-(3-chlorobenzyl)-1H-benzo[d]imidazol-2-ylamino)propyl)piperidin-4-yl)phenyl)acetamide
CID 11656489
6-Chloro-1H-benzoimidazole-4-carboxylic acid (1-methyl-piperidin-4-yl)-amide
CID 15544720
2-(4-Chlorophenyl)-1-{3-[4-(3-benzoylaminophenyl)piperidin-1-yl]propyl}-1h-benzimidazole
CID 25114723
2-(4-Chlorophenyl)-1-{3-[4-(3-(4-methylbenzoylamino)phenyl)piperidin-1-yl]propyl}-1h-benzimidazole
CID 25114724
2-(4-Chlorophenyl)-1-{3-[4-(3-(3-chlorobenzoylamino)phenyl)piperidin-1-yl]propyl}-1h-benzimidazole
CID 25114948
[4-(3-chlorophenyl)-4-[2-[(1R,5S)-3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]piperidin-1-yl]-phenylmethanone
CID 25133963

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-1-[4-[[4-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]amino]piperidin-1-yl]butyl]-N-methylbenzamide?
The IUPAC name of N-[2-(3-chlorophenyl)-1-[4-[[4-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]amino]piperidin-1-yl]butyl]-N-methylbenzamide (CID 67589469) is N-[2-(3-chlorophenyl)-1-[4-[[4-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]amino]piperidin-1-yl]butyl]-N-methylbenzamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-1-[4-[[4-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]amino]piperidin-1-yl]butyl]-N-methylbenzamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-1-[4-[[4-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]amino]piperidin-1-yl]butyl]-N-methylbenzamide is CCC(c1cccc(Cl)c1)C(N1CCC(Nc2nc3c(Cc4ccc(F)cc4)cccc3[nH]2)CC1)N(C)C(=O)c1ccccc1.
What is the InChIKey of N-[2-(3-chlorophenyl)-1-[4-[[4-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]amino]piperidin-1-yl]butyl]-N-methylbenzamide?
The InChIKey is OSMFSQSNNPTBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H39ClFN5O/c1-3-32(27-11-7-13-29(38)24-27)35(43(2)36(45)26-9-5-4-6-10-26)44-21-19-31(20-22-44)40-37-41-33-14-8-12-28(34(33)42-37)23-25-15-17-30(39)18-16-25/h4-18,24,31-32,35H,3,19-23H2,1-2H3,(H2,40,41,42).
What are the key properties of N-[2-(3-chlorophenyl)-1-[4-[[4-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]amino]piperidin-1-yl]butyl]-N-methylbenzamide?
N-[2-(3-chlorophenyl)-1-[4-[[4-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]amino]piperidin-1-yl]butyl]-N-methylbenzamide has a molecular weight of 624.20 g/mol, XLogP of 8.11, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-1-[4-[[4-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]amino]piperidin-1-yl]butyl]-N-methylbenzamide is sourced from PubChem (CID 67589469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).