2-[5-chloro-2-(2-methoxyethoxy)phenyl]-1H-benzimidazole

C16H15ClN2O2 — CID 3329340

IUPAC2-[5-chloro-2-(2-methoxyethoxy)phenyl]-1H-benzimidazole
SMILESCOCCOc1ccc(Cl)cc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C16H15ClN2O2/c1-20-8-9-21-15-7-6-11(17)10-12(15)16-18-13-4-2-3-5-14(13)19-16/h2-7,10H,8-9H2,1H3,(H,18,19)
InChIKeyWTRDDOHONIBPSQ-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.91
Rot. Bonds5

About 2-[5-chloro-2-(2-methoxyethoxy)phenyl]-1H-benzimidazole

2-[5-chloro-2-(2-methoxyethoxy)phenyl]-1H-benzimidazole (PubChem CID 3329340) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 2-[5-chloro-2-(2-methoxyethoxy)phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[5-chloro-2-(2-methoxyethoxy)phenyl]-1H-benzimidazole
PubChem CID3329340
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name2-[5-chloro-2-(2-methoxyethoxy)phenyl]-1H-benzimidazole
SMILESCOCCOc1ccc(Cl)cc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C16H15ClN2O2/c1-20-8-9-21-15-7-6-11(17)10-12(15)16-18-13-4-2-3-5-14(13)19-16/h2-7,10H,8-9H2,1H3,(H,18,19)
InChIKeyWTRDDOHONIBPSQ-UHFFFAOYSA-N
XLogP3.91
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]-1H-benzimidazole
CID 168554437
2-[2-[5-[2-(1H-benzimidazol-2-yl)phenoxy]pentoxy]phenyl]-1H-benzimidazole
CID 25255578
2-[2-butoxy-5-(4-methylphenyl)phenyl]-1H-benzimidazole
CID 168554882
2-[4-(2-methoxyethoxy)phenyl]-1H-benzimidazole
CID 168553496
methyl 2-[2-(1H-benzimidazol-2-yl)-4-bromophenoxy]acetate
CID 168554534
ethyl 3-[2-(1H-benzimidazol-2-yl)-4-bromophenoxy]propanoate
CID 168554937
2-[2-(3-methylbutoxy)phenyl]-1H-benzimidazole
CID 168554417
6-bromo-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole
CID 64722322
3-[2-(1H-benzimidazol-2-yl)phenoxy]-N,N-dimethylpropan-1-amine
CID 168554276
ethyl 4-[2-(1H-benzimidazol-2-yl)-4-bromophenoxy]butanoate
CID 168554935
5,6-dichloro-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole
CID 82004397
4-(1H-benzimidazol-2-yl)-2-chloro-5-methoxyaniline
CID 43614498

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(2-methoxyethoxy)phenyl]-1H-benzimidazole?
The IUPAC name of 2-[5-chloro-2-(2-methoxyethoxy)phenyl]-1H-benzimidazole (CID 3329340) is 2-[5-chloro-2-(2-methoxyethoxy)phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[5-chloro-2-(2-methoxyethoxy)phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[5-chloro-2-(2-methoxyethoxy)phenyl]-1H-benzimidazole is COCCOc1ccc(Cl)cc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[5-chloro-2-(2-methoxyethoxy)phenyl]-1H-benzimidazole?
The InChIKey is WTRDDOHONIBPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-20-8-9-21-15-7-6-11(17)10-12(15)16-18-13-4-2-3-5-14(13)19-16/h2-7,10H,8-9H2,1H3,(H,18,19).
What are the key properties of 2-[5-chloro-2-(2-methoxyethoxy)phenyl]-1H-benzimidazole?
2-[5-chloro-2-(2-methoxyethoxy)phenyl]-1H-benzimidazole has a molecular weight of 302.76 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(2-methoxyethoxy)phenyl]-1H-benzimidazole is sourced from PubChem (CID 3329340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).