5,6-dichloro-1-methyl-2-(2-nitrophenyl)benzimidazole

C14H9Cl2N3O2 — CID 134103285

IUPAC5,6-dichloro-1-methyl-2-(2-nitrophenyl)benzimidazole
SMILESCn1c(-c2ccccc2[N+](=O)[O-])nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C14H9Cl2N3O2/c1-18-13-7-10(16)9(15)6-11(13)17-14(18)8-4-2-3-5-12(8)19(20)21/h2-7H,1H3
InChIKeyWLXVQYIJCCWEQD-UHFFFAOYSA-N
MW322.15 g/mol
LogP4.46
Rot. Bonds2

About 5,6-dichloro-1-methyl-2-(2-nitrophenyl)benzimidazole

5,6-dichloro-1-methyl-2-(2-nitrophenyl)benzimidazole (PubChem CID 134103285) has the molecular formula C14H9Cl2N3O2 and a molecular weight of 322.15 g/mol. Its IUPAC name is 5,6-dichloro-1-methyl-2-(2-nitrophenyl)benzimidazole.

Molecular Properties

Compound Name5,6-dichloro-1-methyl-2-(2-nitrophenyl)benzimidazole
PubChem CID134103285
Molecular FormulaC14H9Cl2N3O2
Molecular Weight322.15 g/mol
Exact Mass321.01
IUPAC Name5,6-dichloro-1-methyl-2-(2-nitrophenyl)benzimidazole
SMILESCn1c(-c2ccccc2[N+](=O)[O-])nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C14H9Cl2N3O2/c1-18-13-7-10(16)9(15)6-11(13)17-14(18)8-4-2-3-5-12(8)19(20)21/h2-7H,1H3
InChIKeyWLXVQYIJCCWEQD-UHFFFAOYSA-N
XLogP4.46
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2-(2-nitrophenyl)-4,5-diphenylimidazole
CID 91262383
methanol;1-methyl-2-(2-nitrophenyl)-4,5-diphenylimidazole
CID 139060722
3-(2-chlorophenyl)-2-(2-nitrophenyl)quinazolin-4-one
CID 1417209
1-chloro-2-nitrobenzene;1-nitro-2-(2-nitrophenyl)benzene
CID 159796978
2-[3-[5,6-dichloro-1-(2-nitrobenzoyl)benzimidazol-2-yl]propyl]isoindole-1,3-dione
CID 141108171
2-chloro-3-(2-nitrophenyl)quinoline
CID 167354575
4-(6-chloro-1-methylbenzimidazol-2-yl)-2-nitroaniline
CID 115472501
1-chloro-4-fluoro-2-(2-nitrophenyl)benzene
CID 142744710
1,2,4-trichloro-5-(2-fluoro-3-nitrophenyl)benzene
CID 134620271
2-(6-chloro-1-methylbenzimidazol-2-yl)phenol
CID 137002817
1,3-dimethyl-5-(2-nitrophenyl)benzene
CID 102025373
5,6-dichloro-2-[2-(1,3-dihydroisoindol-2-yl)ethyl]-1-(2-nitrophenyl)sulfonylbenzimidazole
CID 141108207

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-1-methyl-2-(2-nitrophenyl)benzimidazole?
The IUPAC name of 5,6-dichloro-1-methyl-2-(2-nitrophenyl)benzimidazole (CID 134103285) is 5,6-dichloro-1-methyl-2-(2-nitrophenyl)benzimidazole.
What is the SMILES notation for 5,6-dichloro-1-methyl-2-(2-nitrophenyl)benzimidazole?
The canonical SMILES for 5,6-dichloro-1-methyl-2-(2-nitrophenyl)benzimidazole is Cn1c(-c2ccccc2[N+](=O)[O-])nc2cc(Cl)c(Cl)cc21.
What is the InChIKey of 5,6-dichloro-1-methyl-2-(2-nitrophenyl)benzimidazole?
The InChIKey is WLXVQYIJCCWEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O2/c1-18-13-7-10(16)9(15)6-11(13)17-14(18)8-4-2-3-5-12(8)19(20)21/h2-7H,1H3.
What are the key properties of 5,6-dichloro-1-methyl-2-(2-nitrophenyl)benzimidazole?
5,6-dichloro-1-methyl-2-(2-nitrophenyl)benzimidazole has a molecular weight of 322.15 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-1-methyl-2-(2-nitrophenyl)benzimidazole is sourced from PubChem (CID 134103285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).