2-chloro-6-[1-(2-methoxyethyl)benzimidazol-2-yl]aniline

C16H16ClN3O — CID 107049921

IUPAC2-chloro-6-[1-(2-methoxyethyl)benzimidazol-2-yl]aniline
SMILESCOCCn1c(-c2cccc(Cl)c2N)nc2ccccc21
InChIInChI=1S/C16H16ClN3O/c1-21-10-9-20-14-8-3-2-7-13(14)19-16(20)11-5-4-6-12(17)15(11)18/h2-8H,9-10,18H2,1H3
InChIKeyBJRCOWMVUKJTQV-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.59
Rot. Bonds4

About 2-chloro-6-[1-(2-methoxyethyl)benzimidazol-2-yl]aniline

2-chloro-6-[1-(2-methoxyethyl)benzimidazol-2-yl]aniline (PubChem CID 107049921) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 2-chloro-6-[1-(2-methoxyethyl)benzimidazol-2-yl]aniline.

Molecular Properties

Compound Name2-chloro-6-[1-(2-methoxyethyl)benzimidazol-2-yl]aniline
PubChem CID107049921
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name2-chloro-6-[1-(2-methoxyethyl)benzimidazol-2-yl]aniline
SMILESCOCCn1c(-c2cccc(Cl)c2N)nc2ccccc21
InChIInChI=1S/C16H16ClN3O/c1-21-10-9-20-14-8-3-2-7-13(14)19-16(20)11-5-4-6-12(17)15(11)18/h2-8H,9-10,18H2,1H3
InChIKeyBJRCOWMVUKJTQV-UHFFFAOYSA-N
XLogP3.59
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[1-(2-methoxyethyl)benzimidazol-2-yl]aniline?
The IUPAC name of 2-chloro-6-[1-(2-methoxyethyl)benzimidazol-2-yl]aniline (CID 107049921) is 2-chloro-6-[1-(2-methoxyethyl)benzimidazol-2-yl]aniline.
What is the SMILES notation for 2-chloro-6-[1-(2-methoxyethyl)benzimidazol-2-yl]aniline?
The canonical SMILES for 2-chloro-6-[1-(2-methoxyethyl)benzimidazol-2-yl]aniline is COCCn1c(-c2cccc(Cl)c2N)nc2ccccc21.
What is the InChIKey of 2-chloro-6-[1-(2-methoxyethyl)benzimidazol-2-yl]aniline?
The InChIKey is BJRCOWMVUKJTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-21-10-9-20-14-8-3-2-7-13(14)19-16(20)11-5-4-6-12(17)15(11)18/h2-8H,9-10,18H2,1H3.
What are the key properties of 2-chloro-6-[1-(2-methoxyethyl)benzimidazol-2-yl]aniline?
2-chloro-6-[1-(2-methoxyethyl)benzimidazol-2-yl]aniline has a molecular weight of 301.78 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[1-(2-methoxyethyl)benzimidazol-2-yl]aniline is sourced from PubChem (CID 107049921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).