1-[4-(2-methoxyphenoxy)butyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole

C23H29N3O2 — CID 18885019

IUPAC1-[4-(2-methoxyphenoxy)butyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole
SMILESCOc1ccccc1OCCCCn1c(CN2CCCC2)nc2ccccc21
InChIInChI=1S/C23H29N3O2/c1-27-21-12-4-5-13-22(21)28-17-9-8-16-26-20-11-3-2-10-19(20)24-23(26)18-25-14-6-7-15-25/h2-5,10-13H,6-9,14-18H2,1H3
InChIKeyPLMFSOUPUONERR-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.50
Rot. Bonds9

About 1-[4-(2-methoxyphenoxy)butyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole

1-[4-(2-methoxyphenoxy)butyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole (PubChem CID 18885019) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenoxy)butyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole.

Molecular Properties

Compound Name1-[4-(2-methoxyphenoxy)butyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole
PubChem CID18885019
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name1-[4-(2-methoxyphenoxy)butyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole
SMILESCOc1ccccc1OCCCCn1c(CN2CCCC2)nc2ccccc21
InChIInChI=1S/C23H29N3O2/c1-27-21-12-4-5-13-22(21)28-17-9-8-16-26-20-11-3-2-10-19(20)24-23(26)18-25-14-6-7-15-25/h2-5,10-13H,6-9,14-18H2,1H3
InChIKeyPLMFSOUPUONERR-UHFFFAOYSA-N
XLogP4.50
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(azepan-1-ylmethyl)-1-[4-(2-methoxyphenoxy)butyl]benzimidazole
CID 18885411
2-(azepan-1-ylmethyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
CID 18885338
2-(azepan-1-ylmethyl)-1-(4-phenoxybutyl)benzimidazole
CID 18885402
2-[(2-methoxyphenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole
CID 16997524
2-[3-(azepan-1-yl)propyl]-1-[4-(2-chlorophenoxy)butyl]benzimidazole
CID 18885679
N-[2-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 18888795
1-[4-(2-methoxyphenoxy)butyl]-2-propan-2-ylbenzimidazole
CID 16996559
N-[3-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 18888880
4-[[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]morpholine
CID 18885145
4-[[1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazol-2-yl]methyl]morpholine
CID 50744797
N-[[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]prop-2-enamide
CID 16972304
1-[4-(2-methoxyphenoxy)butyl]-2-(4-methoxyphenyl)benzimidazole
CID 17001362

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenoxy)butyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole?
The IUPAC name of 1-[4-(2-methoxyphenoxy)butyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole (CID 18885019) is 1-[4-(2-methoxyphenoxy)butyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole.
What is the SMILES notation for 1-[4-(2-methoxyphenoxy)butyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole?
The canonical SMILES for 1-[4-(2-methoxyphenoxy)butyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole is COc1ccccc1OCCCCn1c(CN2CCCC2)nc2ccccc21.
What is the InChIKey of 1-[4-(2-methoxyphenoxy)butyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole?
The InChIKey is PLMFSOUPUONERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-27-21-12-4-5-13-22(21)28-17-9-8-16-26-20-11-3-2-10-19(20)24-23(26)18-25-14-6-7-15-25/h2-5,10-13H,6-9,14-18H2,1H3.
What are the key properties of 1-[4-(2-methoxyphenoxy)butyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole?
1-[4-(2-methoxyphenoxy)butyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole has a molecular weight of 379.50 g/mol, XLogP of 4.50, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenoxy)butyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole is sourced from PubChem (CID 18885019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).