4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-ethoxy-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)benzamide

C26H32Cl2N4O2 — CID 44534256

IUPAC4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-ethoxy-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)benzamide
SMILESCCOc1cc(C(=O)NC2CC(C)(C)N(C)C(C)(C)C2)ccc1-c1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C26H32Cl2N4O2/c1-7-34-22-10-15(24(33)29-16-13-25(2,3)32(6)26(4,5)14-16)8-9-17(22)23-30-20-11-18(27)19(28)12-21(20)31-23/h8-12,16H,7,13-14H2,1-6H3,(H,29,33)(H,30,31)
InChIKeyLSTROLORYQDWGW-UHFFFAOYSA-N
MW503.47 g/mol
LogP6.32
Rot. Bonds5

About 4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-ethoxy-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)benzamide

4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-ethoxy-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)benzamide (PubChem CID 44534256) has the molecular formula C26H32Cl2N4O2 and a molecular weight of 503.47 g/mol. Its IUPAC name is 4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-ethoxy-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-ethoxy-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)benzamide
PubChem CID44534256
Molecular FormulaC26H32Cl2N4O2
Molecular Weight503.47 g/mol
Exact Mass502.19
IUPAC Name4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-ethoxy-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)benzamide
SMILESCCOc1cc(C(=O)NC2CC(C)(C)N(C)C(C)(C)C2)ccc1-c1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C26H32Cl2N4O2/c1-7-34-22-10-15(24(33)29-16-13-25(2,3)32(6)26(4,5)14-16)8-9-17(22)23-30-20-11-18(27)19(28)12-21(20)31-23/h8-12,16H,7,13-14H2,1-6H3,(H,29,33)(H,30,31)
InChIKeyLSTROLORYQDWGW-UHFFFAOYSA-N
XLogP6.32
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.47
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-ethoxy-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)benzamide 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

(2S,3S)-2-[(2-amino-2-methylpropanoyl)amino]-N-[(1S)-1-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-3-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide
CID 57397982
Nik-12192
CID 9870097
4-(5,6-Dichlorobenzimidazol-2-yl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-3-methoxybenzamide
CID 9913417
2-(4-(2-(1-(3,4-dichlorobenzyl)piperidin-2-yl)ethoxy)phenyl)-1H-benzo[d]imidazole-5-carboxamide
CID 11649348
4-(6-chloro-1H-benzimidazol-2-yl)-3-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 21101048
5,6-dichloro-N,N-dimethyl-2-(propan-2-ylamino)-1-[1-(4-propan-2-yloxyphenyl)piperidin-4-yl]benzimidazole-4-carboxamide
CID 71528731
tert-butyl (3S,4S)-3-[(6-chloro-1H-benzimidazol-2-yl)amino]-4-(3-phenoxybenzoyl)oxypyrrolidine-1-carboxylate
CID 72946741
N-[3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]propyl]-4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-methoxybenzamide
CID 21100910
N-[3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]propyl]-4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-methylbenzamide
CID 21100911
4-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-ethoxybenzamide
CID 21100990
N-[3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]propyl]-3-methoxy-4-(6-methoxy-1H-benzimidazol-2-yl)benzamide
CID 21101057
N-(1-benzylpiperidin-4-yl)-4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-3-methoxybenzamide
CID 44534223

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-ethoxy-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)benzamide?
The IUPAC name of 4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-ethoxy-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)benzamide (CID 44534256) is 4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-ethoxy-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-ethoxy-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-ethoxy-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)benzamide is CCOc1cc(C(=O)NC2CC(C)(C)N(C)C(C)(C)C2)ccc1-c1nc2cc(Cl)c(Cl)cc2[nH]1.
What is the InChIKey of 4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-ethoxy-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)benzamide?
The InChIKey is LSTROLORYQDWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32Cl2N4O2/c1-7-34-22-10-15(24(33)29-16-13-25(2,3)32(6)26(4,5)14-16)8-9-17(22)23-30-20-11-18(27)19(28)12-21(20)31-23/h8-12,16H,7,13-14H2,1-6H3,(H,29,33)(H,30,31).
What are the key properties of 4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-ethoxy-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)benzamide?
4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-ethoxy-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)benzamide has a molecular weight of 503.47 g/mol, XLogP of 6.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-ethoxy-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)benzamide is sourced from PubChem (CID 44534256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).