1-(2,4-dichlorophenyl)-5-methylbenzimidazol-2-amine

C14H11Cl2N3 — CID 43661916

IUPAC1-(2,4-dichlorophenyl)-5-methylbenzimidazol-2-amine
SMILESCc1ccc2c(c1)nc(N)n2-c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2N3/c1-8-2-4-13-11(6-8)18-14(17)19(13)12-5-3-9(15)7-10(12)16/h2-7H,1H3,(H2,17,18)
InChIKeyLRRFWJLBJZNSEQ-UHFFFAOYSA-N
MW292.17 g/mol
LogP4.22
Rot. Bonds1

About 1-(2,4-dichlorophenyl)-5-methylbenzimidazol-2-amine

1-(2,4-dichlorophenyl)-5-methylbenzimidazol-2-amine (PubChem CID 43661916) has the molecular formula C14H11Cl2N3 and a molecular weight of 292.17 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-5-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-5-methylbenzimidazol-2-amine
PubChem CID43661916
Molecular FormulaC14H11Cl2N3
Molecular Weight292.17 g/mol
Exact Mass291.03
IUPAC Name1-(2,4-dichlorophenyl)-5-methylbenzimidazol-2-amine
SMILESCc1ccc2c(c1)nc(N)n2-c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2N3/c1-8-2-4-13-11(6-8)18-14(17)19(13)12-5-3-9(15)7-10(12)16/h2-7H,1H3,(H2,17,18)
InChIKeyLRRFWJLBJZNSEQ-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

1-(4-chloro-2-fluorophenyl)-5-methylbenzimidazol-2-amine
CID 61472339
5-chloro-1-(2-fluoro-4-methylphenyl)benzimidazol-2-amine
CID 43659478
1-(2-bromo-5-methylphenyl)-5-chlorobenzimidazol-2-amine
CID 82766158
1-(2,4-dichlorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592709
5-chloro-1-(4-chloro-2-iodophenyl)benzimidazol-2-amine
CID 107637334
1-(2-iodophenyl)-5-methylbenzimidazol-2-amine
CID 43661748
1-(5-chloro-2-methylphenyl)-5-iodobenzimidazol-2-amine
CID 66081186
1-(2-fluoro-5-methylphenyl)-5-iodobenzimidazol-2-amine
CID 66081783
1-(2-chloro-4,6-difluorophenyl)-5-methylbenzimidazol-2-amine
CID 83087950
5-methyl-1-(2-methylphenyl)benzimidazol-2-amine
CID 43661880
5-bromo-1-(4-bromo-2-chlorophenyl)benzimidazol-2-amine
CID 43662042
5-chloro-1-(3,5-dimethylphenyl)benzimidazol-2-amine
CID 43659458

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-5-methylbenzimidazol-2-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-5-methylbenzimidazol-2-amine (CID 43661916) is 1-(2,4-dichlorophenyl)-5-methylbenzimidazol-2-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-5-methylbenzimidazol-2-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-5-methylbenzimidazol-2-amine is Cc1ccc2c(c1)nc(N)n2-c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-5-methylbenzimidazol-2-amine?
The InChIKey is LRRFWJLBJZNSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3/c1-8-2-4-13-11(6-8)18-14(17)19(13)12-5-3-9(15)7-10(12)16/h2-7H,1H3,(H2,17,18).
What are the key properties of 1-(2,4-dichlorophenyl)-5-methylbenzimidazol-2-amine?
1-(2,4-dichlorophenyl)-5-methylbenzimidazol-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 1-(2,4-dichlorophenyl)-5-methylbenzimidazol-2-amine is sourced from PubChem (CID 43661916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).