4-(6-chloro-1H-benzimidazol-2-yl)-3-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

C25H31ClN4O2 — CID 21101048

IUPAC4-(6-chloro-1H-benzimidazol-2-yl)-3-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCCOc1cc(C(=O)NC2CC(C)(C)NC(C)(C)C2)ccc1-c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C25H31ClN4O2/c1-6-32-21-11-15(23(31)27-17-13-24(2,3)30-25(4,5)14-17)7-9-18(21)22-28-19-10-8-16(26)12-20(19)29-22/h7-12,17,30H,6,13-14H2,1-5H3,(H,27,31)(H,28,29)
InChIKeyJINTVXQDNNQYEG-UHFFFAOYSA-N
MW455.00 g/mol
LogP5.32
Rot. Bonds5

About 4-(6-chloro-1H-benzimidazol-2-yl)-3-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

4-(6-chloro-1H-benzimidazol-2-yl)-3-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (PubChem CID 21101048) has the molecular formula C25H31ClN4O2 and a molecular weight of 455.00 g/mol. Its IUPAC name is 4-(6-chloro-1H-benzimidazol-2-yl)-3-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-(6-chloro-1H-benzimidazol-2-yl)-3-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
PubChem CID21101048
Molecular FormulaC25H31ClN4O2
Molecular Weight455.00 g/mol
Exact Mass454.21
IUPAC Name4-(6-chloro-1H-benzimidazol-2-yl)-3-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCCOc1cc(C(=O)NC2CC(C)(C)NC(C)(C)C2)ccc1-c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C25H31ClN4O2/c1-6-32-21-11-15(23(31)27-17-13-24(2,3)30-25(4,5)14-17)7-9-18(21)22-28-19-10-8-16(26)12-20(19)29-22/h7-12,17,30H,6,13-14H2,1-5H3,(H,27,31)(H,28,29)
InChIKeyJINTVXQDNNQYEG-UHFFFAOYSA-N
XLogP5.32
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.00
LogP ≤ 55.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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
N-[5-(1H-1,3-Benzodiazol-2-YL)-2-methylphenyl]-3-propoxybenzamide
CID 15991043
4-(5,6-Dichlorobenzimidazol-2-yl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-3-methoxybenzamide
CID 9913417
2-(4-(2-(1-(4-chlorobenzyl)piperidin-2-yl)ethoxy)phenyl)-1H-benzo[d]imidazole-5-carboxamide
CID 11712859
(4-(1H-benzo[d]imidazol-2-yl)piperidin-1-yl)(3-methoxybiphenyl-4-yl)methanone
CID 44565606
N-(3-(1H-Benzo[d]imidazol-2-yl)-4-chlorophenyl)-2-methoxybenzamide
CID 45484505
tert-butyl (3S,4S)-3-[(6-chloro-1H-benzimidazol-2-yl)amino]-4-(3-phenoxybenzoyl)oxypyrrolidine-1-carboxylate
CID 72946741
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-methoxybenzamide
CID 663726
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-ethoxybenzamide
CID 2261114
N-(4-chlorophenyl)-4-(3-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide
CID 15988560
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

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-1H-benzimidazol-2-yl)-3-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The IUPAC name of 4-(6-chloro-1H-benzimidazol-2-yl)-3-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (CID 21101048) is 4-(6-chloro-1H-benzimidazol-2-yl)-3-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-(6-chloro-1H-benzimidazol-2-yl)-3-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-(6-chloro-1H-benzimidazol-2-yl)-3-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is CCOc1cc(C(=O)NC2CC(C)(C)NC(C)(C)C2)ccc1-c1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 4-(6-chloro-1H-benzimidazol-2-yl)-3-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The InChIKey is JINTVXQDNNQYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN4O2/c1-6-32-21-11-15(23(31)27-17-13-24(2,3)30-25(4,5)14-17)7-9-18(21)22-28-19-10-8-16(26)12-20(19)29-22/h7-12,17,30H,6,13-14H2,1-5H3,(H,27,31)(H,28,29).
What are the key properties of 4-(6-chloro-1H-benzimidazol-2-yl)-3-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
4-(6-chloro-1H-benzimidazol-2-yl)-3-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide has a molecular weight of 455.00 g/mol, XLogP of 5.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-1H-benzimidazol-2-yl)-3-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is sourced from PubChem (CID 21101048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).