2,3-dichloro-5-(4,7-dichloro-1H-benzimidazol-2-yl)aniline

C13H7Cl4N3 — CID 95909567

IUPAC2,3-dichloro-5-(4,7-dichloro-1H-benzimidazol-2-yl)aniline
SMILESNc1cc(-c2nc3c(Cl)ccc(Cl)c3[nH]2)cc(Cl)c1Cl
InChIInChI=1S/C13H7Cl4N3/c14-6-1-2-7(15)12-11(6)19-13(20-12)5-3-8(16)10(17)9(18)4-5/h1-4H,18H2,(H,19,20)
InChIKeySWVAZCCKRMBHPX-UHFFFAOYSA-N
MW347.03 g/mol
LogP5.43
Rot. Bonds1

About 2,3-dichloro-5-(4,7-dichloro-1H-benzimidazol-2-yl)aniline

2,3-dichloro-5-(4,7-dichloro-1H-benzimidazol-2-yl)aniline (PubChem CID 95909567) has the molecular formula C13H7Cl4N3 and a molecular weight of 347.03 g/mol. Its IUPAC name is 2,3-dichloro-5-(4,7-dichloro-1H-benzimidazol-2-yl)aniline.

Molecular Properties

Compound Name2,3-dichloro-5-(4,7-dichloro-1H-benzimidazol-2-yl)aniline
PubChem CID95909567
Molecular FormulaC13H7Cl4N3
Molecular Weight347.03 g/mol
Exact Mass344.94
IUPAC Name2,3-dichloro-5-(4,7-dichloro-1H-benzimidazol-2-yl)aniline
SMILESNc1cc(-c2nc3c(Cl)ccc(Cl)c3[nH]2)cc(Cl)c1Cl
InChIInChI=1S/C13H7Cl4N3/c14-6-1-2-7(15)12-11(6)19-13(20-12)5-3-8(16)10(17)9(18)4-5/h1-4H,18H2,(H,19,20)
InChIKeySWVAZCCKRMBHPX-UHFFFAOYSA-N
XLogP5.43
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.03
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,7-dichloro-2-(3,4-dichlorophenyl)-1H-benzimidazole
CID 95909549
4,7-dichloro-2-(3,5-dimethylphenyl)-1H-benzimidazole
CID 95909526
2,3-dichloro-5-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 56736961
2-chloro-5-(4,5-difluoro-1H-benzimidazol-2-yl)aniline
CID 112556458
2-chloro-5-(4-fluoro-1H-benzimidazol-2-yl)aniline
CID 54920023
2-(3,5-dichlorophenyl)-1H-benzimidazol-4-amine
CID 63694405
2-chloro-4-(4,5-difluoro-1H-benzimidazol-2-yl)aniline
CID 112556537
2-(3-bromo-4-chlorophenyl)-1H-benzimidazol-4-amine
CID 114024566
4-(4-chloro-6-methyl-1H-benzimidazol-2-yl)aniline
CID 84636861
2-(3-amino-4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 82476781
4,5,6-trichloro-2-pyridin-4-yl-1H-benzimidazole
CID 135358917
2-(4-aminophenyl)-1H-phenanthro[9,10-d]imidazole-5,10-diamine
CID 162720673

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-5-(4,7-dichloro-1H-benzimidazol-2-yl)aniline?
The IUPAC name of 2,3-dichloro-5-(4,7-dichloro-1H-benzimidazol-2-yl)aniline (CID 95909567) is 2,3-dichloro-5-(4,7-dichloro-1H-benzimidazol-2-yl)aniline.
What is the SMILES notation for 2,3-dichloro-5-(4,7-dichloro-1H-benzimidazol-2-yl)aniline?
The canonical SMILES for 2,3-dichloro-5-(4,7-dichloro-1H-benzimidazol-2-yl)aniline is Nc1cc(-c2nc3c(Cl)ccc(Cl)c3[nH]2)cc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-5-(4,7-dichloro-1H-benzimidazol-2-yl)aniline?
The InChIKey is SWVAZCCKRMBHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl4N3/c14-6-1-2-7(15)12-11(6)19-13(20-12)5-3-8(16)10(17)9(18)4-5/h1-4H,18H2,(H,19,20).
What are the key properties of 2,3-dichloro-5-(4,7-dichloro-1H-benzimidazol-2-yl)aniline?
2,3-dichloro-5-(4,7-dichloro-1H-benzimidazol-2-yl)aniline has a molecular weight of 347.03 g/mol, XLogP of 5.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-5-(4,7-dichloro-1H-benzimidazol-2-yl)aniline is sourced from PubChem (CID 95909567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).