4-[5-(2-methoxyethoxy)benzimidazol-1-yl]aniline

C16H17N3O2 — CID 130424385

IUPAC4-[5-(2-methoxyethoxy)benzimidazol-1-yl]aniline
SMILESCOCCOc1ccc2c(c1)ncn2-c1ccc(N)cc1
InChIInChI=1S/C16H17N3O2/c1-20-8-9-21-14-6-7-16-15(10-14)18-11-19(16)13-4-2-12(17)3-5-13/h2-7,10-11H,8-9,17H2,1H3
InChIKeyVRKVOSXPJFKLLH-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.63
Rot. Bonds5

About 4-[5-(2-methoxyethoxy)benzimidazol-1-yl]aniline

4-[5-(2-methoxyethoxy)benzimidazol-1-yl]aniline (PubChem CID 130424385) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-[5-(2-methoxyethoxy)benzimidazol-1-yl]aniline.

Molecular Properties

Compound Name4-[5-(2-methoxyethoxy)benzimidazol-1-yl]aniline
PubChem CID130424385
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name4-[5-(2-methoxyethoxy)benzimidazol-1-yl]aniline
SMILESCOCCOc1ccc2c(c1)ncn2-c1ccc(N)cc1
InChIInChI=1S/C16H17N3O2/c1-20-8-9-21-14-6-7-16-15(10-14)18-11-19(16)13-4-2-12(17)3-5-13/h2-7,10-11H,8-9,17H2,1H3
InChIKeyVRKVOSXPJFKLLH-UHFFFAOYSA-N
XLogP2.63
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(5-hexoxybenzimidazol-1-yl)aniline
CID 130424399
4-[5-[3-(4-methylpiperazin-1-yl)propoxy]benzimidazol-1-yl]aniline
CID 130424581
1-(4-methoxyphenyl)benzimidazol-5-amine
CID 783122
phenyl N-[4-[5-(2-methoxyethoxy)benzimidazol-1-yl]phenyl]carbamate
CID 130424447
1-(4-aminophenyl)benzimidazol-5-ol;ethane
CID 145364845
1-[4-(trifluoromethoxy)phenyl]benzimidazol-5-amine
CID 62507837
N,N-dimethyl-4-(1-phenylbenzimidazol-5-yl)oxybutan-1-amine;dihydrochloride
CID 22004137
[4-(5-ethoxybenzimidazol-1-yl)phenyl]carbamic acid
CID 137375457
1-(3,5-dimethylphenyl)benzimidazol-5-amine
CID 62508491
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-[2-(3-methoxypropoxy)ethoxy]benzimidazol-1-yl]phenyl]acetamide
CID 156704759
4-(5-nitrobenzimidazol-1-yl)aniline
CID 827644
1-(4-chloro-3-methoxyphenyl)benzimidazol-5-amine
CID 107623243

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-methoxyethoxy)benzimidazol-1-yl]aniline?
The IUPAC name of 4-[5-(2-methoxyethoxy)benzimidazol-1-yl]aniline (CID 130424385) is 4-[5-(2-methoxyethoxy)benzimidazol-1-yl]aniline.
What is the SMILES notation for 4-[5-(2-methoxyethoxy)benzimidazol-1-yl]aniline?
The canonical SMILES for 4-[5-(2-methoxyethoxy)benzimidazol-1-yl]aniline is COCCOc1ccc2c(c1)ncn2-c1ccc(N)cc1.
What is the InChIKey of 4-[5-(2-methoxyethoxy)benzimidazol-1-yl]aniline?
The InChIKey is VRKVOSXPJFKLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-20-8-9-21-14-6-7-16-15(10-14)18-11-19(16)13-4-2-12(17)3-5-13/h2-7,10-11H,8-9,17H2,1H3.
What are the key properties of 4-[5-(2-methoxyethoxy)benzimidazol-1-yl]aniline?
4-[5-(2-methoxyethoxy)benzimidazol-1-yl]aniline has a molecular weight of 283.33 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-methoxyethoxy)benzimidazol-1-yl]aniline is sourced from PubChem (CID 130424385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).