2-ethyl-1-(4-phenylmethoxybutyl)benzimidazole

C20H24N2O — CID 122190742

IUPAC2-ethyl-1-(4-phenylmethoxybutyl)benzimidazole
SMILESCCc1nc2ccccc2n1CCCCOCc1ccccc1
InChIInChI=1S/C20H24N2O/c1-2-20-21-18-12-6-7-13-19(18)22(20)14-8-9-15-23-16-17-10-4-3-5-11-17/h3-7,10-13H,2,8-9,14-16H2,1H3
InChIKeyCVNRCMSLFNMQIS-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.60
Rot. Bonds8

About 2-ethyl-1-(4-phenylmethoxybutyl)benzimidazole

2-ethyl-1-(4-phenylmethoxybutyl)benzimidazole (PubChem CID 122190742) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-ethyl-1-(4-phenylmethoxybutyl)benzimidazole.

Molecular Properties

Compound Name2-ethyl-1-(4-phenylmethoxybutyl)benzimidazole
PubChem CID122190742
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name2-ethyl-1-(4-phenylmethoxybutyl)benzimidazole
SMILESCCc1nc2ccccc2n1CCCCOCc1ccccc1
InChIInChI=1S/C20H24N2O/c1-2-20-21-18-12-6-7-13-19(18)22(20)14-8-9-15-23-16-17-10-4-3-5-11-17/h3-7,10-13H,2,8-9,14-16H2,1H3
InChIKeyCVNRCMSLFNMQIS-UHFFFAOYSA-N
XLogP4.60
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-4-(2-ethylbenzimidazol-1-yl)butan-1-amine
CID 134815891
2-ethyl-1-(4-pyridin-4-yloxybutyl)benzimidazole
CID 122190781
2-ethyl-1-[2-(3-methoxypropoxy)ethyl]benzimidazole
CID 103184188
1,7-bis(2-ethylbenzimidazol-1-yl)heptan-4-one
CID 139073818
1-[2-(2-chloroethoxy)ethyl]-2-ethylbenzimidazole
CID 63664998
2-benzyl-1-hexadecylbenzimidazole
CID 4627397
N-(2-butoxyethyl)-2-(2-ethylbenzimidazol-1-yl)ethanamine
CID 63107484
1-[4-(4-chloro-2-fluorophenoxy)butyl]-2-ethylbenzimidazole
CID 122190747
6-(2-ethylbenzimidazol-1-yl)hexan-2-amine
CID 63107097
N-[3-(2-ethylbenzimidazol-1-yl)propyl]aniline
CID 63105255
2-benzyl-1-[4-(4-methylphenoxy)butyl]benzimidazole
CID 18879081
3-(2-ethylbenzimidazol-1-yl)propanoic acid chloride
CID 53347020

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-phenylmethoxybutyl)benzimidazole?
The IUPAC name of 2-ethyl-1-(4-phenylmethoxybutyl)benzimidazole (CID 122190742) is 2-ethyl-1-(4-phenylmethoxybutyl)benzimidazole.
What is the SMILES notation for 2-ethyl-1-(4-phenylmethoxybutyl)benzimidazole?
The canonical SMILES for 2-ethyl-1-(4-phenylmethoxybutyl)benzimidazole is CCc1nc2ccccc2n1CCCCOCc1ccccc1.
What is the InChIKey of 2-ethyl-1-(4-phenylmethoxybutyl)benzimidazole?
The InChIKey is CVNRCMSLFNMQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-2-20-21-18-12-6-7-13-19(18)22(20)14-8-9-15-23-16-17-10-4-3-5-11-17/h3-7,10-13H,2,8-9,14-16H2,1H3.
What are the key properties of 2-ethyl-1-(4-phenylmethoxybutyl)benzimidazole?
2-ethyl-1-(4-phenylmethoxybutyl)benzimidazole has a molecular weight of 308.43 g/mol, XLogP of 4.60, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-phenylmethoxybutyl)benzimidazole is sourced from PubChem (CID 122190742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).