4-chloro-3-(5-chloro-1-ethylbenzimidazol-2-yl)aniline

C15H13Cl2N3 — CID 60861711

IUPAC4-chloro-3-(5-chloro-1-ethylbenzimidazol-2-yl)aniline
SMILESCCn1c(-c2cc(N)ccc2Cl)nc2cc(Cl)ccc21
InChIInChI=1S/C15H13Cl2N3/c1-2-20-14-6-3-9(16)7-13(14)19-15(20)11-8-10(18)4-5-12(11)17/h3-8H,2,18H2,1H3
InChIKeyLJWCNWLGEBHPOZ-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.61
Rot. Bonds2

About 4-chloro-3-(5-chloro-1-ethylbenzimidazol-2-yl)aniline

4-chloro-3-(5-chloro-1-ethylbenzimidazol-2-yl)aniline (PubChem CID 60861711) has the molecular formula C15H13Cl2N3 and a molecular weight of 306.20 g/mol. Its IUPAC name is 4-chloro-3-(5-chloro-1-ethylbenzimidazol-2-yl)aniline.

Molecular Properties

Compound Name4-chloro-3-(5-chloro-1-ethylbenzimidazol-2-yl)aniline
PubChem CID60861711
Molecular FormulaC15H13Cl2N3
Molecular Weight306.20 g/mol
Exact Mass305.05
IUPAC Name4-chloro-3-(5-chloro-1-ethylbenzimidazol-2-yl)aniline
SMILESCCn1c(-c2cc(N)ccc2Cl)nc2cc(Cl)ccc21
InChIInChI=1S/C15H13Cl2N3/c1-2-20-14-6-3-9(16)7-13(14)19-15(20)11-8-10(18)4-5-12(11)17/h3-8H,2,18H2,1H3
InChIKeyLJWCNWLGEBHPOZ-UHFFFAOYSA-N
XLogP4.61
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.61
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

3-chloro-4-(5-chloro-1-ethylbenzimidazol-2-yl)aniline
CID 61399151
2-(4-chlorophenyl)-1-ethylbenzimidazol-5-amine
CID 83813225
5-chloro-2-(1-ethyl-5-methylbenzimidazol-2-yl)aniline
CID 60785305
3-(5-bromo-1-ethylbenzimidazol-2-yl)-4-fluoroaniline
CID 60837523
2-(5-chloro-1-ethylbenzimidazol-2-yl)benzene-1,3-diol
CID 136813261
[2-(2-bromo-4-chlorophenyl)-1-ethylbenzimidazol-5-yl]methanamine
CID 107994624
2-chloro-5-(1-ethyl-5-methylbenzimidazol-2-yl)aniline
CID 60784511
3-(5-chloro-1-propylbenzimidazol-2-yl)thiophen-2-amine
CID 60784251
2-(5-bromo-1-ethylbenzimidazol-2-yl)-6-chloroaniline
CID 107049833
[5-(5-chloro-1-ethylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine
CID 63628688
3-(5-chloro-1-propylbenzimidazol-2-yl)-2-methylaniline
CID 62946902
2-(5-chloro-2-fluorophenyl)-1-ethylbenzimidazole-5-carbonitrile
CID 65040586

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(5-chloro-1-ethylbenzimidazol-2-yl)aniline?
The IUPAC name of 4-chloro-3-(5-chloro-1-ethylbenzimidazol-2-yl)aniline (CID 60861711) is 4-chloro-3-(5-chloro-1-ethylbenzimidazol-2-yl)aniline.
What is the SMILES notation for 4-chloro-3-(5-chloro-1-ethylbenzimidazol-2-yl)aniline?
The canonical SMILES for 4-chloro-3-(5-chloro-1-ethylbenzimidazol-2-yl)aniline is CCn1c(-c2cc(N)ccc2Cl)nc2cc(Cl)ccc21.
What is the InChIKey of 4-chloro-3-(5-chloro-1-ethylbenzimidazol-2-yl)aniline?
The InChIKey is LJWCNWLGEBHPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3/c1-2-20-14-6-3-9(16)7-13(14)19-15(20)11-8-10(18)4-5-12(11)17/h3-8H,2,18H2,1H3.
What are the key properties of 4-chloro-3-(5-chloro-1-ethylbenzimidazol-2-yl)aniline?
4-chloro-3-(5-chloro-1-ethylbenzimidazol-2-yl)aniline has a molecular weight of 306.20 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(5-chloro-1-ethylbenzimidazol-2-yl)aniline is sourced from PubChem (CID 60861711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).