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

C16H16ClN3 — CID 60784511

IUPAC2-chloro-5-(1-ethyl-5-methylbenzimidazol-2-yl)aniline
SMILESCCn1c(-c2ccc(Cl)c(N)c2)nc2cc(C)ccc21
InChIInChI=1S/C16H16ClN3/c1-3-20-15-7-4-10(2)8-14(15)19-16(20)11-5-6-12(17)13(18)9-11/h4-9H,3,18H2,1-2H3
InChIKeyQCXURAFPPDSFNF-UHFFFAOYSA-N
MW285.78 g/mol
LogP4.27
Rot. Bonds2

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

2-chloro-5-(1-ethyl-5-methylbenzimidazol-2-yl)aniline (PubChem CID 60784511) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is 2-chloro-5-(1-ethyl-5-methylbenzimidazol-2-yl)aniline.

Molecular Properties

Compound Name2-chloro-5-(1-ethyl-5-methylbenzimidazol-2-yl)aniline
PubChem CID60784511
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC Name2-chloro-5-(1-ethyl-5-methylbenzimidazol-2-yl)aniline
SMILESCCn1c(-c2ccc(Cl)c(N)c2)nc2cc(C)ccc21
InChIInChI=1S/C16H16ClN3/c1-3-20-15-7-4-10(2)8-14(15)19-16(20)11-5-6-12(17)13(18)9-11/h4-9H,3,18H2,1-2H3
InChIKeyQCXURAFPPDSFNF-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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Related Compounds

2-chloro-5-(5-methyl-1-propylbenzimidazol-2-yl)aniline
CID 60785145
5-(5-bromo-1-propylbenzimidazol-2-yl)-2-chloroaniline
CID 60785537
2-bromo-5-(5-methyl-1-propylbenzimidazol-2-yl)aniline
CID 107812775
2-[4-(chloromethyl)phenyl]-1-ethyl-5-methylbenzimidazole
CID 60785471
5-chloro-2-(1-ethyl-5-methylbenzimidazol-2-yl)aniline
CID 60785305
2-(4-chlorophenyl)-1-ethylbenzimidazol-5-amine
CID 83813225
1-ethyl-2-(3-methylphenyl)benzimidazol-5-amine
CID 82382499
5-(1,5-diethylbenzimidazol-2-yl)-2-methylaniline
CID 82333570
3-(1-ethyl-5-methylbenzimidazol-2-yl)pyrazin-2-amine
CID 63262209
3-(1-butyl-5-methylbenzimidazol-2-yl)aniline
CID 82333006
5-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methoxyaniline
CID 63743435
4-chloro-3-(5-chloro-1-ethylbenzimidazol-2-yl)aniline
CID 60861711

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(1-ethyl-5-methylbenzimidazol-2-yl)aniline?
The IUPAC name of 2-chloro-5-(1-ethyl-5-methylbenzimidazol-2-yl)aniline (CID 60784511) is 2-chloro-5-(1-ethyl-5-methylbenzimidazol-2-yl)aniline.
What is the SMILES notation for 2-chloro-5-(1-ethyl-5-methylbenzimidazol-2-yl)aniline?
The canonical SMILES for 2-chloro-5-(1-ethyl-5-methylbenzimidazol-2-yl)aniline is CCn1c(-c2ccc(Cl)c(N)c2)nc2cc(C)ccc21.
What is the InChIKey of 2-chloro-5-(1-ethyl-5-methylbenzimidazol-2-yl)aniline?
The InChIKey is QCXURAFPPDSFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3/c1-3-20-15-7-4-10(2)8-14(15)19-16(20)11-5-6-12(17)13(18)9-11/h4-9H,3,18H2,1-2H3.
What are the key properties of 2-chloro-5-(1-ethyl-5-methylbenzimidazol-2-yl)aniline?
2-chloro-5-(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 2-chloro-5-(1-ethyl-5-methylbenzimidazol-2-yl)aniline is sourced from PubChem (CID 60784511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).