1-(2,3-dimethylphenyl)-2-propan-2-ylbenzimidazol-5-amine

C18H21N3 — CID 63496499

IUPAC1-(2,3-dimethylphenyl)-2-propan-2-ylbenzimidazol-5-amine
SMILESCc1cccc(-n2c(C(C)C)nc3cc(N)ccc32)c1C
InChIInChI=1S/C18H21N3/c1-11(2)18-20-15-10-14(19)8-9-17(15)21(18)16-7-5-6-12(3)13(16)4/h5-11H,19H2,1-4H3
InChIKeyZAMNYVDTAFRURI-UHFFFAOYSA-N
MW279.39 g/mol
LogP4.35
Rot. Bonds2

About 1-(2,3-dimethylphenyl)-2-propan-2-ylbenzimidazol-5-amine

1-(2,3-dimethylphenyl)-2-propan-2-ylbenzimidazol-5-amine (PubChem CID 63496499) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-2-propan-2-ylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-2-propan-2-ylbenzimidazol-5-amine
PubChem CID63496499
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name1-(2,3-dimethylphenyl)-2-propan-2-ylbenzimidazol-5-amine
SMILESCc1cccc(-n2c(C(C)C)nc3cc(N)ccc32)c1C
InChIInChI=1S/C18H21N3/c1-11(2)18-20-15-10-14(19)8-9-17(15)21(18)16-7-5-6-12(3)13(16)4/h5-11H,19H2,1-4H3
InChIKeyZAMNYVDTAFRURI-UHFFFAOYSA-N
XLogP4.35
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 54.35
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

2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)benzonitrile
CID 62508152
1-(4-fluoro-3-methylphenyl)-2-propan-2-ylbenzimidazol-5-amine
CID 62812258
1-(2,5-dichlorophenyl)-2-propan-2-ylbenzimidazol-5-amine
CID 63497400
1-[(2-methylphenyl)methyl]-2-propan-2-ylbenzimidazol-5-amine
CID 62506386
1-[5-amino-1-(2-chlorophenyl)benzimidazol-2-yl]ethanol
CID 62596168
2-ethyl-1-(3-fluoro-2-methylphenyl)benzimidazol-5-amine
CID 62507061
1-benzyl-2-propan-2-ylbenzimidazol-5-amine
CID 43830828
2-propan-2-yl-1-propylbenzimidazol-5-amine
CID 43830820
1-[5-amino-1-(3,5-dimethylphenyl)benzimidazol-2-yl]ethanol
CID 62596546
1-[5-amino-1-(2,6-dibromophenyl)benzimidazol-2-yl]ethanol
CID 107603576
2-propan-2-yl-1-(2-propan-2-ylphenyl)benzimidazole
CID 155173883
1-pentan-3-yl-2-propan-2-ylbenzimidazol-5-amine
CID 55080352

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-2-propan-2-ylbenzimidazol-5-amine?
The IUPAC name of 1-(2,3-dimethylphenyl)-2-propan-2-ylbenzimidazol-5-amine (CID 63496499) is 1-(2,3-dimethylphenyl)-2-propan-2-ylbenzimidazol-5-amine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-2-propan-2-ylbenzimidazol-5-amine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-2-propan-2-ylbenzimidazol-5-amine is Cc1cccc(-n2c(C(C)C)nc3cc(N)ccc32)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-2-propan-2-ylbenzimidazol-5-amine?
The InChIKey is ZAMNYVDTAFRURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-11(2)18-20-15-10-14(19)8-9-17(15)21(18)16-7-5-6-12(3)13(16)4/h5-11H,19H2,1-4H3.
What are the key properties of 1-(2,3-dimethylphenyl)-2-propan-2-ylbenzimidazol-5-amine?
1-(2,3-dimethylphenyl)-2-propan-2-ylbenzimidazol-5-amine has a molecular weight of 279.39 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-2-propan-2-ylbenzimidazol-5-amine is sourced from PubChem (CID 63496499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).