3,4-dimethyl-5-(1-methylbenzimidazol-2-yl)aniline

C16H17N3 — CID 63020855

IUPAC3,4-dimethyl-5-(1-methylbenzimidazol-2-yl)aniline
SMILESCc1cc(N)cc(-c2nc3ccccc3n2C)c1C
InChIInChI=1S/C16H17N3/c1-10-8-12(17)9-13(11(10)2)16-18-14-6-4-5-7-15(14)19(16)3/h4-9H,17H2,1-3H3
InChIKeyHWGBEBLJXGCJBE-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.44
Rot. Bonds1

About 3,4-dimethyl-5-(1-methylbenzimidazol-2-yl)aniline

3,4-dimethyl-5-(1-methylbenzimidazol-2-yl)aniline (PubChem CID 63020855) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3,4-dimethyl-5-(1-methylbenzimidazol-2-yl)aniline.

Molecular Properties

Compound Name3,4-dimethyl-5-(1-methylbenzimidazol-2-yl)aniline
PubChem CID63020855
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name3,4-dimethyl-5-(1-methylbenzimidazol-2-yl)aniline
SMILESCc1cc(N)cc(-c2nc3ccccc3n2C)c1C
InChIInChI=1S/C16H17N3/c1-10-8-12(17)9-13(11(10)2)16-18-14-6-4-5-7-15(14)19(16)3/h4-9H,17H2,1-3H3
InChIKeyHWGBEBLJXGCJBE-UHFFFAOYSA-N
XLogP3.44
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-3-(1-methylbenzimidazol-2-yl)aniline
CID 113281116
3-(7-chloro-1-methylbenzimidazol-2-yl)-4,5-dimethylaniline
CID 63020864
3-methoxy-4-(1-methylbenzimidazol-2-yl)aniline
CID 82481745
2-(1-methylbenzimidazol-2-yl)phenol
CID 139198195
3-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 79753807
2-[2-(5-amino-2-methylphenyl)benzimidazol-1-yl]ethanol
CID 63652268
1-methyl-2-(2-methylsulfanylphenyl)benzimidazole
CID 19866681
3-(1-methylbenzimidazol-2-yl)chromen-2-one
CID 951231
4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-amine
CID 16789350
2-amino-5-(1-methylbenzimidazol-2-yl)phenol
CID 60835038
2-amino-7,8-dimethyl-3-(1-methylbenzimidazol-2-yl)chromeno[2,3-b]pyridin-5-one
CID 75366120
2-fluoranthen-3-yl-1-methylbenzimidazole
CID 121287547

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-(1-methylbenzimidazol-2-yl)aniline?
The IUPAC name of 3,4-dimethyl-5-(1-methylbenzimidazol-2-yl)aniline (CID 63020855) is 3,4-dimethyl-5-(1-methylbenzimidazol-2-yl)aniline.
What is the SMILES notation for 3,4-dimethyl-5-(1-methylbenzimidazol-2-yl)aniline?
The canonical SMILES for 3,4-dimethyl-5-(1-methylbenzimidazol-2-yl)aniline is Cc1cc(N)cc(-c2nc3ccccc3n2C)c1C.
What is the InChIKey of 3,4-dimethyl-5-(1-methylbenzimidazol-2-yl)aniline?
The InChIKey is HWGBEBLJXGCJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-10-8-12(17)9-13(11(10)2)16-18-14-6-4-5-7-15(14)19(16)3/h4-9H,17H2,1-3H3.
What are the key properties of 3,4-dimethyl-5-(1-methylbenzimidazol-2-yl)aniline?
3,4-dimethyl-5-(1-methylbenzimidazol-2-yl)aniline has a molecular weight of 251.33 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-(1-methylbenzimidazol-2-yl)aniline is sourced from PubChem (CID 63020855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).