4-methyl-N-[1-[2-[2-[4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethoxy]ethyl]piperidin-4-yl]-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-amine

C58H68N10O3 — CID 142757568

IUPAC4-methyl-N-[1-[2-[2-[4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethoxy]ethyl]piperidin-4-yl]-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-amine
SMILESCc1ccc(OCc2ccccc2)c(Cn2c(NC3CCN(CCOCCN4CCC(Nc5nc6c(C)cccc6n5Cc5nc(C)ccc5OCc5ccccc5)CC4)CC3)nc3c(C)cccc32)n1
InChIInChI=1S/C58H68N10O3/c1-41-13-11-19-51-55(41)63-57(67(51)37-49-53(23-21-43(3)59-49)70-39-45-15-7-5-8-16-45)61-47-25-29-65(30-26-47)33-35-69-36-34-66-31-27-48(28-32-66)62-58-64-56-42(2)14-12-20-52(56)68(58)38-50-54(24-22-44(4)60-50)71-40-46-17-9-6-10-18-46/h5-24,47-48H,25-40H2,1-4H3,(H,61,63)(H,62,64)
InChIKeyAMWQOCUFPSGTFC-UHFFFAOYSA-N
MW953.25 g/mol
LogP10.13
Rot. Bonds20

About 4-methyl-N-[1-[2-[2-[4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethoxy]ethyl]piperidin-4-yl]-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-amine

4-methyl-N-[1-[2-[2-[4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethoxy]ethyl]piperidin-4-yl]-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-amine (PubChem CID 142757568) has the molecular formula C58H68N10O3 and a molecular weight of 953.25 g/mol. Its IUPAC name is 4-methyl-N-[1-[2-[2-[4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethoxy]ethyl]piperidin-4-yl]-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-[1-[2-[2-[4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethoxy]ethyl]piperidin-4-yl]-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-amine
PubChem CID142757568
Molecular FormulaC58H68N10O3
Molecular Weight953.25 g/mol
Exact Mass952.55
IUPAC Name4-methyl-N-[1-[2-[2-[4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethoxy]ethyl]piperidin-4-yl]-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-amine
SMILESCc1ccc(OCc2ccccc2)c(Cn2c(NC3CCN(CCOCCN4CCC(Nc5nc6c(C)cccc6n5Cc5nc(C)ccc5OCc5ccccc5)CC4)CC3)nc3c(C)cccc32)n1
InChIInChI=1S/C58H68N10O3/c1-41-13-11-19-51-55(41)63-57(67(51)37-49-53(23-21-43(3)59-49)70-39-45-15-7-5-8-16-45)61-47-25-29-65(30-26-47)33-35-69-36-34-66-31-27-48(28-32-66)62-58-64-56-42(2)14-12-20-52(56)68(58)38-50-54(24-22-44(4)60-50)71-40-46-17-9-6-10-18-46/h5-24,47-48H,25-40H2,1-4H3,(H,61,63)(H,62,64)
InChIKeyAMWQOCUFPSGTFC-UHFFFAOYSA-N
XLogP10.13
TPSA119.65 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds20
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500953.25
LogP ≤ 510.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-methyl-N-[1-[2-[2-[4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethoxy]ethyl]piperidin-4-yl]-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-amine with MolForge

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Related Compounds

Deltarasin
CID 73292904
2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1-[(E)-4-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]benzimidazol-1-yl]but-2-enyl]benzimidazole
CID 9961911
2-[[6-[[2-(2-Hydroxyethyl)anilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 24799468
1-[(4-Fluorophenyl)methyl]-2-[4-[2-(2-phenylbenzimidazol-1-yl)-2-piperidin-4-ylethoxy]phenyl]benzimidazole
CID 73292020
1-[(3-Methylphenyl)methyl]-2-[4-[2-(2-phenylbenzimidazol-1-yl)-2-piperidin-4-ylethoxy]phenyl]benzimidazole
CID 73292021
1-[(2-Methylphenyl)methyl]-2-[4-[2-(2-phenylbenzimidazol-1-yl)-2-piperidin-4-ylethoxy]phenyl]benzimidazole
CID 73292022
1H-Benzimidazole, 2-[4-[2-(2-phenyl-1H-benzimidazol-1-yl)-2-(4-piperidinyl)ethoxy]phenyl]-1-(phenylmethyl)-
CID 73292903
6-Methyl-2-[[4-methyl-2-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol
CID 17759014
1-Benzyl-2-[4-[2-(2-phenylbenzimidazol-1-yl)-2-piperidin-3-ylethoxy]phenyl]benzimidazole
CID 90644518
1-Benzyl-2-[4-[2-(2-phenylbenzimidazol-1-yl)-3-piperidin-4-ylpropoxy]phenyl]benzimidazole
CID 90644519
2-Phenyl-1-[1-piperidin-4-yl-2-[4-[1-(pyridin-3-ylmethyl)benzimidazol-2-yl]phenoxy]ethyl]benzimidazole
CID 90644520
2-[[8-(3H-benzimidazol-5-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-2-yl]methoxy]quinoline
CID 123133252

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-[2-[2-[4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethoxy]ethyl]piperidin-4-yl]-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-amine?
The IUPAC name of 4-methyl-N-[1-[2-[2-[4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethoxy]ethyl]piperidin-4-yl]-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-amine (CID 142757568) is 4-methyl-N-[1-[2-[2-[4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethoxy]ethyl]piperidin-4-yl]-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 4-methyl-N-[1-[2-[2-[4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethoxy]ethyl]piperidin-4-yl]-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-amine?
The canonical SMILES for 4-methyl-N-[1-[2-[2-[4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethoxy]ethyl]piperidin-4-yl]-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-amine is Cc1ccc(OCc2ccccc2)c(Cn2c(NC3CCN(CCOCCN4CCC(Nc5nc6c(C)cccc6n5Cc5nc(C)ccc5OCc5ccccc5)CC4)CC3)nc3c(C)cccc32)n1.
What is the InChIKey of 4-methyl-N-[1-[2-[2-[4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethoxy]ethyl]piperidin-4-yl]-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-amine?
The InChIKey is AMWQOCUFPSGTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H68N10O3/c1-41-13-11-19-51-55(41)63-57(67(51)37-49-53(23-21-43(3)59-49)70-39-45-15-7-5-8-16-45)61-47-25-29-65(30-26-47)33-35-69-36-34-66-31-27-48(28-32-66)62-58-64-56-42(2)14-12-20-52(56)68(58)38-50-54(24-22-44(4)60-50)71-40-46-17-9-6-10-18-46/h5-24,47-48H,25-40H2,1-4H3,(H,61,63)(H,62,64).
What are the key properties of 4-methyl-N-[1-[2-[2-[4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethoxy]ethyl]piperidin-4-yl]-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-amine?
4-methyl-N-[1-[2-[2-[4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethoxy]ethyl]piperidin-4-yl]-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-amine has a molecular weight of 953.25 g/mol, XLogP of 10.13, 20 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-[2-[2-[4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethoxy]ethyl]piperidin-4-yl]-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 142757568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).