N',N'-dibenzyl-N-[1-[[1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]ethane-1,2-diamine

C36H42N6 — CID 20819908

IUPACN',N'-dibenzyl-N-[1-[[1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]ethane-1,2-diamine
SMILESCc1cccc(Cn2c(CN3CCC(NCCN(Cc4ccccc4)Cc4ccccc4)CC3)nc3ccccc32)n1
InChIInChI=1S/C36H42N6/c1-29-11-10-16-33(38-29)27-42-35-18-9-8-17-34(35)39-36(42)28-40-22-19-32(20-23-40)37-21-24-41(25-30-12-4-2-5-13-30)26-31-14-6-3-7-15-31/h2-18,32,37H,19-28H2,1H3
InChIKeyPBKJJEYUTCRREY-UHFFFAOYSA-N
MW558.77 g/mol
LogP6.04
Rot. Bonds12

About N',N'-dibenzyl-N-[1-[[1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]ethane-1,2-diamine

N',N'-dibenzyl-N-[1-[[1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]ethane-1,2-diamine (PubChem CID 20819908) has the molecular formula C36H42N6 and a molecular weight of 558.77 g/mol. Its IUPAC name is N',N'-dibenzyl-N-[1-[[1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dibenzyl-N-[1-[[1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]ethane-1,2-diamine
PubChem CID20819908
Molecular FormulaC36H42N6
Molecular Weight558.77 g/mol
Exact Mass558.35
IUPAC NameN',N'-dibenzyl-N-[1-[[1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]ethane-1,2-diamine
SMILESCc1cccc(Cn2c(CN3CCC(NCCN(Cc4ccccc4)Cc4ccccc4)CC3)nc3ccccc32)n1
InChIInChI=1S/C36H42N6/c1-29-11-10-16-33(38-29)27-42-35-18-9-8-17-34(35)39-36(42)28-40-22-19-32(20-23-40)37-21-24-41(25-30-12-4-2-5-13-30)26-31-14-6-3-7-15-31/h2-18,32,37H,19-28H2,1H3
InChIKeyPBKJJEYUTCRREY-UHFFFAOYSA-N
XLogP6.04
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.77
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N',N'-dibenzyl-N-[1-[[1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]ethane-1,2-diamine with MolForge

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Launch Full Analysis

Related Compounds

N-[1-(2-aminoethyl)piperidin-4-yl]-1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-amine
CID 511008
1-[(6-methyl-2-pyridinyl)methyl]-2-(piperidin-4-ylmethyl)benzimidazole
CID 20819849
1-benzyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidin-3-amine
CID 113222196
1-benzyl-2-(piperidin-1-ylmethyl)benzimidazole
CID 2986295
ethyl 1-[(1-benzylbenzimidazol-2-yl)methyl]piperidine-4-carboxylate
CID 134084341
1-benzyl-2-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]benzimidazole
CID 58780374
(3R)-N-benzyl-N-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-amine
CID 51635983
1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-ethyl-N-methylpiperidine-4-carboxamide
CID 124801929
1-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidin-4-amine
CID 28712904
4-[(1-benzylbenzimidazol-2-yl)methyl]piperazine-1-carbaldehyde
CID 90040131
1-[(4-methylphenyl)methyl]-2-[(3,3,4,4-tetradeuteriopyrrolidin-1-yl)methyl]benzimidazole
CID 87065826
2-[(4-methylpiperidin-1-yl)methyl]-1-propylbenzimidazole
CID 6491176

Frequently Asked Questions

What is the IUPAC name of N',N'-dibenzyl-N-[1-[[1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]ethane-1,2-diamine?
The IUPAC name of N',N'-dibenzyl-N-[1-[[1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]ethane-1,2-diamine (CID 20819908) is N',N'-dibenzyl-N-[1-[[1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dibenzyl-N-[1-[[1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dibenzyl-N-[1-[[1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]ethane-1,2-diamine is Cc1cccc(Cn2c(CN3CCC(NCCN(Cc4ccccc4)Cc4ccccc4)CC3)nc3ccccc32)n1.
What is the InChIKey of N',N'-dibenzyl-N-[1-[[1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]ethane-1,2-diamine?
The InChIKey is PBKJJEYUTCRREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H42N6/c1-29-11-10-16-33(38-29)27-42-35-18-9-8-17-34(35)39-36(42)28-40-22-19-32(20-23-40)37-21-24-41(25-30-12-4-2-5-13-30)26-31-14-6-3-7-15-31/h2-18,32,37H,19-28H2,1H3.
What are the key properties of N',N'-dibenzyl-N-[1-[[1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]ethane-1,2-diamine?
N',N'-dibenzyl-N-[1-[[1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]ethane-1,2-diamine has a molecular weight of 558.77 g/mol, XLogP of 6.04, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dibenzyl-N-[1-[[1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 20819908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).