2-(3,5-dichloro-4-ethoxyphenyl)-3H-benzimidazol-5-amine

C15H13Cl2N3O — CID 83953091

IUPAC2-(3,5-dichloro-4-ethoxyphenyl)-3H-benzimidazol-5-amine
SMILESCCOc1c(Cl)cc(-c2nc3ccc(N)cc3[nH]2)cc1Cl
InChIInChI=1S/C15H13Cl2N3O/c1-2-21-14-10(16)5-8(6-11(14)17)15-19-12-4-3-9(18)7-13(12)20-15/h3-7H,2,18H2,1H3,(H,19,20)
InChIKeyHECDFLIGPJXWRO-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.52
Rot. Bonds3

About 2-(3,5-dichloro-4-ethoxyphenyl)-3H-benzimidazol-5-amine

2-(3,5-dichloro-4-ethoxyphenyl)-3H-benzimidazol-5-amine (PubChem CID 83953091) has the molecular formula C15H13Cl2N3O and a molecular weight of 322.20 g/mol. Its IUPAC name is 2-(3,5-dichloro-4-ethoxyphenyl)-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-(3,5-dichloro-4-ethoxyphenyl)-3H-benzimidazol-5-amine
PubChem CID83953091
Molecular FormulaC15H13Cl2N3O
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name2-(3,5-dichloro-4-ethoxyphenyl)-3H-benzimidazol-5-amine
SMILESCCOc1c(Cl)cc(-c2nc3ccc(N)cc3[nH]2)cc1Cl
InChIInChI=1S/C15H13Cl2N3O/c1-2-21-14-10(16)5-8(6-11(14)17)15-19-12-4-3-9(18)7-13(12)20-15/h3-7H,2,18H2,1H3,(H,19,20)
InChIKeyHECDFLIGPJXWRO-UHFFFAOYSA-N
XLogP4.52
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloro-4-ethoxy-5-methoxyphenyl)-3H-benzimidazol-5-amine
CID 83953290
2-(3,5-dichloro-4-propoxyphenyl)-3H-benzimidazol-5-amine
CID 83953103
2-(3-bromo-5-chloro-4-ethoxyphenyl)-1H-benzimidazole
CID 168554522
2-(3-chloro-4-ethoxy-5-methoxyphenyl)-6-nitro-1H-benzimidazole
CID 110535997
2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine
CID 3091495
2-chloro-6-ethoxy-4-(6-methyl-1H-benzimidazol-2-yl)phenol
CID 136822282
4-(6-propoxy-1H-benzimidazol-2-yl)aniline
CID 82331892
4-(6-amino-1H-benzimidazol-2-yl)phenol
CID 763218
4-(6-amino-1H-benzimidazol-2-yl)phenol dichloride
CID 135987130
2-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-5,6-dimethyl-1H-benzimidazole
CID 110534204
4-(6-amino-1H-benzimidazol-2-yl)benzonitrile
CID 19921448
2-thiophen-3-yl-3H-benzimidazol-5-amine
CID 24692071

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-4-ethoxyphenyl)-3H-benzimidazol-5-amine?
The IUPAC name of 2-(3,5-dichloro-4-ethoxyphenyl)-3H-benzimidazol-5-amine (CID 83953091) is 2-(3,5-dichloro-4-ethoxyphenyl)-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-(3,5-dichloro-4-ethoxyphenyl)-3H-benzimidazol-5-amine?
The canonical SMILES for 2-(3,5-dichloro-4-ethoxyphenyl)-3H-benzimidazol-5-amine is CCOc1c(Cl)cc(-c2nc3ccc(N)cc3[nH]2)cc1Cl.
What is the InChIKey of 2-(3,5-dichloro-4-ethoxyphenyl)-3H-benzimidazol-5-amine?
The InChIKey is HECDFLIGPJXWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O/c1-2-21-14-10(16)5-8(6-11(14)17)15-19-12-4-3-9(18)7-13(12)20-15/h3-7H,2,18H2,1H3,(H,19,20).
What are the key properties of 2-(3,5-dichloro-4-ethoxyphenyl)-3H-benzimidazol-5-amine?
2-(3,5-dichloro-4-ethoxyphenyl)-3H-benzimidazol-5-amine has a molecular weight of 322.20 g/mol, XLogP of 4.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-4-ethoxyphenyl)-3H-benzimidazol-5-amine is sourced from PubChem (CID 83953091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).