4-[[1-[(3-methyl-1,2-dihydrobenzimidazol-2-yl)methyl]-2-(morpholin-4-ylmethyl)benzimidazol-5-yl]methyl]morpholine

C26H34N6O2 — CID 142185567

IUPAC4-[[1-[(3-methyl-1,2-dihydrobenzimidazol-2-yl)methyl]-2-(morpholin-4-ylmethyl)benzimidazol-5-yl]methyl]morpholine
SMILESCN1c2ccccc2NC1Cn1c(CN2CCOCC2)nc2cc(CN3CCOCC3)ccc21
InChIInChI=1S/C26H34N6O2/c1-29-23-5-3-2-4-21(23)27-25(29)19-32-24-7-6-20(17-30-8-12-33-13-9-30)16-22(24)28-26(32)18-31-10-14-34-15-11-31/h2-7,16,25,27H,8-15,17-19H2,1H3
InChIKeyCNHSLISATBZUAS-UHFFFAOYSA-N
MW462.60 g/mol
LogP2.59
Rot. Bonds6

About 4-[[1-[(3-methyl-1,2-dihydrobenzimidazol-2-yl)methyl]-2-(morpholin-4-ylmethyl)benzimidazol-5-yl]methyl]morpholine

4-[[1-[(3-methyl-1,2-dihydrobenzimidazol-2-yl)methyl]-2-(morpholin-4-ylmethyl)benzimidazol-5-yl]methyl]morpholine (PubChem CID 142185567) has the molecular formula C26H34N6O2 and a molecular weight of 462.60 g/mol. Its IUPAC name is 4-[[1-[(3-methyl-1,2-dihydrobenzimidazol-2-yl)methyl]-2-(morpholin-4-ylmethyl)benzimidazol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-[(3-methyl-1,2-dihydrobenzimidazol-2-yl)methyl]-2-(morpholin-4-ylmethyl)benzimidazol-5-yl]methyl]morpholine
PubChem CID142185567
Molecular FormulaC26H34N6O2
Molecular Weight462.60 g/mol
Exact Mass462.27
IUPAC Name4-[[1-[(3-methyl-1,2-dihydrobenzimidazol-2-yl)methyl]-2-(morpholin-4-ylmethyl)benzimidazol-5-yl]methyl]morpholine
SMILESCN1c2ccccc2NC1Cn1c(CN2CCOCC2)nc2cc(CN3CCOCC3)ccc21
InChIInChI=1S/C26H34N6O2/c1-29-23-5-3-2-4-21(23)27-25(29)19-32-24-7-6-20(17-30-8-12-33-13-9-30)16-22(24)28-26(32)18-31-10-14-34-15-11-31/h2-7,16,25,27H,8-15,17-19H2,1H3
InChIKeyCNHSLISATBZUAS-UHFFFAOYSA-N
XLogP2.59
TPSA58.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.60
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(2,3-dihydro-1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid
CID 142185582
N-[2-[1-ethyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]ethyl]-N-methylcyclobutanamine
CID 70865776
1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid
CID 22181904
2-[5-methyl-2-(morpholin-4-ylmethyl)benzimidazol-1-yl]ethanamine
CID 82310629
4-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]morpholine
CID 16805688
4-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]morpholine
CID 851996
2-[5-ethyl-2-(piperazin-1-ylmethyl)benzimidazol-1-yl]ethanol
CID 82311687
2-[5-ethyl-2-(piperazin-1-ylmethyl)benzimidazol-1-yl]acetonitrile
CID 82311196
4-[[1-[(3-nitrophenyl)methyl]benzimidazol-2-yl]methyl]morpholine
CID 67262100
2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)benzimidazol-1-yl]ethanol
CID 82311786
4-[[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]morpholine
CID 6494342
1-methyl-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid
CID 83967724

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(3-methyl-1,2-dihydrobenzimidazol-2-yl)methyl]-2-(morpholin-4-ylmethyl)benzimidazol-5-yl]methyl]morpholine?
The IUPAC name of 4-[[1-[(3-methyl-1,2-dihydrobenzimidazol-2-yl)methyl]-2-(morpholin-4-ylmethyl)benzimidazol-5-yl]methyl]morpholine (CID 142185567) is 4-[[1-[(3-methyl-1,2-dihydrobenzimidazol-2-yl)methyl]-2-(morpholin-4-ylmethyl)benzimidazol-5-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-[(3-methyl-1,2-dihydrobenzimidazol-2-yl)methyl]-2-(morpholin-4-ylmethyl)benzimidazol-5-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-[(3-methyl-1,2-dihydrobenzimidazol-2-yl)methyl]-2-(morpholin-4-ylmethyl)benzimidazol-5-yl]methyl]morpholine is CN1c2ccccc2NC1Cn1c(CN2CCOCC2)nc2cc(CN3CCOCC3)ccc21.
What is the InChIKey of 4-[[1-[(3-methyl-1,2-dihydrobenzimidazol-2-yl)methyl]-2-(morpholin-4-ylmethyl)benzimidazol-5-yl]methyl]morpholine?
The InChIKey is CNHSLISATBZUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O2/c1-29-23-5-3-2-4-21(23)27-25(29)19-32-24-7-6-20(17-30-8-12-33-13-9-30)16-22(24)28-26(32)18-31-10-14-34-15-11-31/h2-7,16,25,27H,8-15,17-19H2,1H3.
What are the key properties of 4-[[1-[(3-methyl-1,2-dihydrobenzimidazol-2-yl)methyl]-2-(morpholin-4-ylmethyl)benzimidazol-5-yl]methyl]morpholine?
4-[[1-[(3-methyl-1,2-dihydrobenzimidazol-2-yl)methyl]-2-(morpholin-4-ylmethyl)benzimidazol-5-yl]methyl]morpholine has a molecular weight of 462.60 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(3-methyl-1,2-dihydrobenzimidazol-2-yl)methyl]-2-(morpholin-4-ylmethyl)benzimidazol-5-yl]methyl]morpholine is sourced from PubChem (CID 142185567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).