5-chloro-2-(1-ethyl-5-methylbenzimidazol-2-yl)aniline

C16H16ClN3 — CID 60785305

IUPAC5-chloro-2-(1-ethyl-5-methylbenzimidazol-2-yl)aniline
SMILESCCn1c(-c2ccc(Cl)cc2N)nc2cc(C)ccc21
InChIInChI=1S/C16H16ClN3/c1-3-20-15-7-4-10(2)8-14(15)19-16(20)12-6-5-11(17)9-13(12)18/h4-9H,3,18H2,1-2H3
InChIKeyFNWLHCQHWBCYKW-UHFFFAOYSA-N
MW285.78 g/mol
LogP4.27
Rot. Bonds2

About 5-chloro-2-(1-ethyl-5-methylbenzimidazol-2-yl)aniline

5-chloro-2-(1-ethyl-5-methylbenzimidazol-2-yl)aniline (PubChem CID 60785305) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is 5-chloro-2-(1-ethyl-5-methylbenzimidazol-2-yl)aniline.

Molecular Properties

Compound Name5-chloro-2-(1-ethyl-5-methylbenzimidazol-2-yl)aniline
PubChem CID60785305
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC Name5-chloro-2-(1-ethyl-5-methylbenzimidazol-2-yl)aniline
SMILESCCn1c(-c2ccc(Cl)cc2N)nc2cc(C)ccc21
InChIInChI=1S/C16H16ClN3/c1-3-20-15-7-4-10(2)8-14(15)19-16(20)12-6-5-11(17)9-13(12)18/h4-9H,3,18H2,1-2H3
InChIKeyFNWLHCQHWBCYKW-UHFFFAOYSA-N
XLogP4.27
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(1-ethyl-5-methylbenzimidazol-2-yl)aniline?
The IUPAC name of 5-chloro-2-(1-ethyl-5-methylbenzimidazol-2-yl)aniline (CID 60785305) is 5-chloro-2-(1-ethyl-5-methylbenzimidazol-2-yl)aniline.
What is the SMILES notation for 5-chloro-2-(1-ethyl-5-methylbenzimidazol-2-yl)aniline?
The canonical SMILES for 5-chloro-2-(1-ethyl-5-methylbenzimidazol-2-yl)aniline is CCn1c(-c2ccc(Cl)cc2N)nc2cc(C)ccc21.
What is the InChIKey of 5-chloro-2-(1-ethyl-5-methylbenzimidazol-2-yl)aniline?
The InChIKey is FNWLHCQHWBCYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3/c1-3-20-15-7-4-10(2)8-14(15)19-16(20)12-6-5-11(17)9-13(12)18/h4-9H,3,18H2,1-2H3.
What are the key properties of 5-chloro-2-(1-ethyl-5-methylbenzimidazol-2-yl)aniline?
5-chloro-2-(1-ethyl-5-methylbenzimidazol-2-yl)aniline has a molecular weight of 285.78 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(1-ethyl-5-methylbenzimidazol-2-yl)aniline is sourced from PubChem (CID 60785305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).