2-[[4-(4-benzylpiperidin-1-yl)-2-[2-(3-methoxyphenyl)ethyl]benzimidazol-1-yl]methyl]morpholine

C33H40N4O2 — CID 44525832

IUPAC2-[[4-(4-benzylpiperidin-1-yl)-2-[2-(3-methoxyphenyl)ethyl]benzimidazol-1-yl]methyl]morpholine
SMILESCOc1cccc(CCc2nc3c(N4CCC(Cc5ccccc5)CC4)cccc3n2CC2CNCCO2)c1
InChIInChI=1S/C33H40N4O2/c1-38-28-10-5-9-26(22-28)13-14-32-35-33-30(11-6-12-31(33)37(32)24-29-23-34-17-20-39-29)36-18-15-27(16-19-36)21-25-7-3-2-4-8-25/h2-12,22,27,29,34H,13-21,23-24H2,1H3
InChIKeyBZELXZGNHMKBEU-UHFFFAOYSA-N
MW524.71 g/mol
LogP5.28
Rot. Bonds9

About 2-[[4-(4-benzylpiperidin-1-yl)-2-[2-(3-methoxyphenyl)ethyl]benzimidazol-1-yl]methyl]morpholine

2-[[4-(4-benzylpiperidin-1-yl)-2-[2-(3-methoxyphenyl)ethyl]benzimidazol-1-yl]methyl]morpholine (PubChem CID 44525832) has the molecular formula C33H40N4O2 and a molecular weight of 524.71 g/mol. Its IUPAC name is 2-[[4-(4-benzylpiperidin-1-yl)-2-[2-(3-methoxyphenyl)ethyl]benzimidazol-1-yl]methyl]morpholine.

Molecular Properties

Compound Name2-[[4-(4-benzylpiperidin-1-yl)-2-[2-(3-methoxyphenyl)ethyl]benzimidazol-1-yl]methyl]morpholine
PubChem CID44525832
Molecular FormulaC33H40N4O2
Molecular Weight524.71 g/mol
Exact Mass524.32
IUPAC Name2-[[4-(4-benzylpiperidin-1-yl)-2-[2-(3-methoxyphenyl)ethyl]benzimidazol-1-yl]methyl]morpholine
SMILESCOc1cccc(CCc2nc3c(N4CCC(Cc5ccccc5)CC4)cccc3n2CC2CNCCO2)c1
InChIInChI=1S/C33H40N4O2/c1-38-28-10-5-9-26(22-28)13-14-32-35-33-30(11-6-12-31(33)37(32)24-29-23-34-17-20-39-29)36-18-15-27(16-19-36)21-25-7-3-2-4-8-25/h2-12,22,27,29,34H,13-21,23-24H2,1H3
InChIKeyBZELXZGNHMKBEU-UHFFFAOYSA-N
XLogP5.28
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.71
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[4-(4-benzylpiperidin-1-yl)-2-[2-(3-methoxyphenyl)ethyl]benzimidazol-1-yl]methyl]morpholine with MolForge

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Related Compounds

2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 133464861
5-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 133464962
(2R)-2-[[2-(2-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]morpholine
CID 97445358
(2S)-2-[[2-(2-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]morpholine
CID 97445359
1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 127120206
N-cyclopropyl-N-[(3-methoxyphenyl)methyl]-2-[(2S)-morpholin-2-yl]acetamide
CID 95553911
[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119765866
2-(4-benzylpiperidin-1-yl)-5-[(3-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 3961147
2-[(1-benzylpiperidin-4-yl)methyl]-1-[(4-fluorophenyl)methyl]-4-methoxybenzimidazole
CID 70492080
1-benzyl-6-methoxy-2-(2-phenylethyl)benzimidazole
CID 134083782
2-[(3-methoxyphenyl)methyl]oxolane
CID 10607780
2-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]morpholine
CID 79512215

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-benzylpiperidin-1-yl)-2-[2-(3-methoxyphenyl)ethyl]benzimidazol-1-yl]methyl]morpholine?
The IUPAC name of 2-[[4-(4-benzylpiperidin-1-yl)-2-[2-(3-methoxyphenyl)ethyl]benzimidazol-1-yl]methyl]morpholine (CID 44525832) is 2-[[4-(4-benzylpiperidin-1-yl)-2-[2-(3-methoxyphenyl)ethyl]benzimidazol-1-yl]methyl]morpholine.
What is the SMILES notation for 2-[[4-(4-benzylpiperidin-1-yl)-2-[2-(3-methoxyphenyl)ethyl]benzimidazol-1-yl]methyl]morpholine?
The canonical SMILES for 2-[[4-(4-benzylpiperidin-1-yl)-2-[2-(3-methoxyphenyl)ethyl]benzimidazol-1-yl]methyl]morpholine is COc1cccc(CCc2nc3c(N4CCC(Cc5ccccc5)CC4)cccc3n2CC2CNCCO2)c1.
What is the InChIKey of 2-[[4-(4-benzylpiperidin-1-yl)-2-[2-(3-methoxyphenyl)ethyl]benzimidazol-1-yl]methyl]morpholine?
The InChIKey is BZELXZGNHMKBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40N4O2/c1-38-28-10-5-9-26(22-28)13-14-32-35-33-30(11-6-12-31(33)37(32)24-29-23-34-17-20-39-29)36-18-15-27(16-19-36)21-25-7-3-2-4-8-25/h2-12,22,27,29,34H,13-21,23-24H2,1H3.
What are the key properties of 2-[[4-(4-benzylpiperidin-1-yl)-2-[2-(3-methoxyphenyl)ethyl]benzimidazol-1-yl]methyl]morpholine?
2-[[4-(4-benzylpiperidin-1-yl)-2-[2-(3-methoxyphenyl)ethyl]benzimidazol-1-yl]methyl]morpholine has a molecular weight of 524.71 g/mol, XLogP of 5.28, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-benzylpiperidin-1-yl)-2-[2-(3-methoxyphenyl)ethyl]benzimidazol-1-yl]methyl]morpholine is sourced from PubChem (CID 44525832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).