5-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methylaniline

C14H11Cl2N3 — CID 82003874

IUPAC5-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methylaniline
SMILESCc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1N
InChIInChI=1S/C14H11Cl2N3/c1-7-2-3-8(4-11(7)17)14-18-12-5-9(15)10(16)6-13(12)19-14/h2-6H,17H2,1H3,(H,18,19)
InChIKeyDRTPGPWXUVUNBB-UHFFFAOYSA-N
MW292.17 g/mol
LogP4.43
Rot. Bonds1

About 5-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methylaniline

5-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methylaniline (PubChem CID 82003874) has the molecular formula C14H11Cl2N3 and a molecular weight of 292.17 g/mol. Its IUPAC name is 5-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methylaniline.

Molecular Properties

Compound Name5-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methylaniline
PubChem CID82003874
Molecular FormulaC14H11Cl2N3
Molecular Weight292.17 g/mol
Exact Mass291.03
IUPAC Name5-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methylaniline
SMILESCc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1N
InChIInChI=1S/C14H11Cl2N3/c1-7-2-3-8(4-11(7)17)14-18-12-5-9(15)10(16)6-13(12)19-14/h2-6H,17H2,1H3,(H,18,19)
InChIKeyDRTPGPWXUVUNBB-UHFFFAOYSA-N
XLogP4.43
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 54.43
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

5,6-dichloro-2-(3-fluoro-4-methylphenyl)-1H-benzimidazole
CID 82004686
5-(6-fluoro-1H-benzimidazol-2-yl)-2-methylaniline
CID 54919597
5,6-dichloro-2-(4-fluorophenyl)-1H-benzimidazole
CID 4915231
5-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-2-amine
CID 82001524
2-methyl-5-(6-methylsulfonyl-1H-benzimidazol-2-yl)aniline
CID 62067932
2-(3-chloro-4-fluorophenyl)-5,6-dimethyl-1H-benzimidazole
CID 82880012
2,3-dichloro-5-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 56736961
5-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylbenzene-1,3-diamine
CID 56736956
6-(5,6-dichloro-1H-benzimidazol-2-yl)-1,3-benzothiazol-2-amine
CID 82005407
5,6-dichloro-2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
CID 136929756
5-bromo-2-(3-chloro-4-methylphenyl)-6-fluoro-1H-benzimidazole
CID 79631508
3-chloro-2-(5,6-dichloro-1H-benzimidazol-2-yl)aniline
CID 82001058

Frequently Asked Questions

What is the IUPAC name of 5-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methylaniline?
The IUPAC name of 5-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methylaniline (CID 82003874) is 5-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methylaniline.
What is the SMILES notation for 5-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methylaniline?
The canonical SMILES for 5-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methylaniline is Cc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1N.
What is the InChIKey of 5-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methylaniline?
The InChIKey is DRTPGPWXUVUNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3/c1-7-2-3-8(4-11(7)17)14-18-12-5-9(15)10(16)6-13(12)19-14/h2-6H,17H2,1H3,(H,18,19).
What are the key properties of 5-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methylaniline?
5-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methylaniline has a molecular weight of 292.17 g/mol, XLogP of 4.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methylaniline is sourced from PubChem (CID 82003874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).