2-tert-butyl-1-ethyl-N-methylbenzimidazol-5-amine

C14H21N3 — CID 143022253

IUPAC2-tert-butyl-1-ethyl-N-methylbenzimidazol-5-amine
SMILESCCn1c(C(C)(C)C)nc2cc(NC)ccc21
InChIInChI=1S/C14H21N3/c1-6-17-12-8-7-10(15-5)9-11(12)16-13(17)14(2,3)4/h7-9,15H,6H2,1-5H3
InChIKeyAVDHOHLNHJUYSZ-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.40
Rot. Bonds2

About 2-tert-butyl-1-ethyl-N-methylbenzimidazol-5-amine

2-tert-butyl-1-ethyl-N-methylbenzimidazol-5-amine (PubChem CID 143022253) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-tert-butyl-1-ethyl-N-methylbenzimidazol-5-amine.

Molecular Properties

Compound Name2-tert-butyl-1-ethyl-N-methylbenzimidazol-5-amine
PubChem CID143022253
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2-tert-butyl-1-ethyl-N-methylbenzimidazol-5-amine
SMILESCCn1c(C(C)(C)C)nc2cc(NC)ccc21
InChIInChI=1S/C14H21N3/c1-6-17-12-8-7-10(15-5)9-11(12)16-13(17)14(2,3)4/h7-9,15H,6H2,1-5H3
InChIKeyAVDHOHLNHJUYSZ-UHFFFAOYSA-N
XLogP3.40
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-tert-butyl-1-ethyl-N-methylbenzimidazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-tert-butyl-N-methyl-1-(3-methylpentyl)benzimidazol-5-amine
CID 143022115
N-methyl-1-(2-methylbutyl)-2-(trifluoromethyl)benzimidazol-5-amine
CID 143204096
2-tert-butyl-N-(diethylsulfamoyl)-1-ethyl-N-methylbenzimidazol-5-amine
CID 143022121
2-tert-butyl-1-ethyl-5-pyrrolidin-1-ylsulfanylbenzimidazole
CID 143561916
N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N-methylacetamide;2-tert-butyl-1-(cyclohexylmethyl)-N-methylbenzimidazol-5-amine
CID 159730971
N-[4-[(2-tert-butyl-1-ethylbenzimidazol-5-yl)-methylamino]sulfanylphenyl]-2-(2-hydroxyethylamino)acetamide
CID 143022312
2-tert-butyl-1-ethyl-N-methyl-N-piperazin-1-ylsulfanylbenzimidazol-5-amine
CID 143204263
3-(1-ethyl-5-fluorobenzimidazol-2-yl)-3-methylbutan-1-amine
CID 114285540
2-tert-butyl-1-ethyl-N-methyl-N-(3-methylimidazol-3-ium-1-yl)sulfanylbenzimidazol-5-amine
CID 143204170
2-tert-butyl-1-ethyl-N-methoxy-N-methylbenzimidazole-5-carboxamide;cyclohexane
CID 142973027
2-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine
CID 113307952
2-(5-amino-2-tert-butylbenzimidazol-1-yl)ethanol
CID 62493612

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-ethyl-N-methylbenzimidazol-5-amine?
The IUPAC name of 2-tert-butyl-1-ethyl-N-methylbenzimidazol-5-amine (CID 143022253) is 2-tert-butyl-1-ethyl-N-methylbenzimidazol-5-amine.
What is the SMILES notation for 2-tert-butyl-1-ethyl-N-methylbenzimidazol-5-amine?
The canonical SMILES for 2-tert-butyl-1-ethyl-N-methylbenzimidazol-5-amine is CCn1c(C(C)(C)C)nc2cc(NC)ccc21.
What is the InChIKey of 2-tert-butyl-1-ethyl-N-methylbenzimidazol-5-amine?
The InChIKey is AVDHOHLNHJUYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-6-17-12-8-7-10(15-5)9-11(12)16-13(17)14(2,3)4/h7-9,15H,6H2,1-5H3.
What are the key properties of 2-tert-butyl-1-ethyl-N-methylbenzimidazol-5-amine?
2-tert-butyl-1-ethyl-N-methylbenzimidazol-5-amine has a molecular weight of 231.34 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-ethyl-N-methylbenzimidazol-5-amine is sourced from PubChem (CID 143022253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).