5-chloro-1-(3-chloro-4-methylphenyl)benzimidazol-2-amine

C14H11Cl2N3 — CID 43659506

IUPAC5-chloro-1-(3-chloro-4-methylphenyl)benzimidazol-2-amine
SMILESCc1ccc(-n2c(N)nc3cc(Cl)ccc32)cc1Cl
InChIInChI=1S/C14H11Cl2N3/c1-8-2-4-10(7-11(8)16)19-13-5-3-9(15)6-12(13)18-14(19)17/h2-7H,1H3,(H2,17,18)
InChIKeySTVMVMXMRWYCND-UHFFFAOYSA-N
MW292.17 g/mol
LogP4.22
Rot. Bonds1

About 5-chloro-1-(3-chloro-4-methylphenyl)benzimidazol-2-amine

5-chloro-1-(3-chloro-4-methylphenyl)benzimidazol-2-amine (PubChem CID 43659506) has the molecular formula C14H11Cl2N3 and a molecular weight of 292.17 g/mol. Its IUPAC name is 5-chloro-1-(3-chloro-4-methylphenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-1-(3-chloro-4-methylphenyl)benzimidazol-2-amine
PubChem CID43659506
Molecular FormulaC14H11Cl2N3
Molecular Weight292.17 g/mol
Exact Mass291.03
IUPAC Name5-chloro-1-(3-chloro-4-methylphenyl)benzimidazol-2-amine
SMILESCc1ccc(-n2c(N)nc3cc(Cl)ccc32)cc1Cl
InChIInChI=1S/C14H11Cl2N3/c1-8-2-4-10(7-11(8)16)19-13-5-3-9(15)6-12(13)18-14(19)17/h2-7H,1H3,(H2,17,18)
InChIKeySTVMVMXMRWYCND-UHFFFAOYSA-N
XLogP4.22
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-1-(3,5-dimethylphenyl)benzimidazol-2-amine
CID 43659458
1-(2-bromo-5-chloro-4-methylphenyl)-5-chlorobenzimidazol-2-amine
CID 104724612
5-bromo-1-(3,4-dichlorophenyl)benzimidazol-2-amine
CID 43661710
1-(5-chloro-2-methylphenyl)-5-iodobenzimidazol-2-amine
CID 66081186
5-bromo-1-(5-chloro-2-methylphenyl)benzimidazol-2-amine
CID 43661666
1-(3,4-difluorophenyl)-5-fluorobenzimidazol-2-amine
CID 43661787
1-(2,4-dichlorophenyl)-5-methylbenzimidazol-2-amine
CID 43661916
5-chloro-1-(5-chloro-2-fluorophenyl)benzimidazol-2-amine
CID 43659570
5-chloro-1-(2-fluoro-4-methylphenyl)benzimidazol-2-amine
CID 43659478
1-(4-bromo-3-methylphenyl)-5-chloro-6-fluorobenzimidazol-2-amine
CID 66077330
6-chloro-1-(2,6-difluoro-3-methylphenyl)benzimidazol-2-amine
CID 82820117
5-chloro-6-fluoro-1-(4-methylphenyl)benzimidazol-2-amine
CID 66077135

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(3-chloro-4-methylphenyl)benzimidazol-2-amine?
The IUPAC name of 5-chloro-1-(3-chloro-4-methylphenyl)benzimidazol-2-amine (CID 43659506) is 5-chloro-1-(3-chloro-4-methylphenyl)benzimidazol-2-amine.
What is the SMILES notation for 5-chloro-1-(3-chloro-4-methylphenyl)benzimidazol-2-amine?
The canonical SMILES for 5-chloro-1-(3-chloro-4-methylphenyl)benzimidazol-2-amine is Cc1ccc(-n2c(N)nc3cc(Cl)ccc32)cc1Cl.
What is the InChIKey of 5-chloro-1-(3-chloro-4-methylphenyl)benzimidazol-2-amine?
The InChIKey is STVMVMXMRWYCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3/c1-8-2-4-10(7-11(8)16)19-13-5-3-9(15)6-12(13)18-14(19)17/h2-7H,1H3,(H2,17,18).
What are the key properties of 5-chloro-1-(3-chloro-4-methylphenyl)benzimidazol-2-amine?
5-chloro-1-(3-chloro-4-methylphenyl)benzimidazol-2-amine has a molecular weight of 292.17 g/mol, XLogP of 4.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(3-chloro-4-methylphenyl)benzimidazol-2-amine is sourced from PubChem (CID 43659506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).