2-(5,6-dimethyl-2-propan-2-ylbenzimidazol-1-yl)ethanamine

C14H21N3 — CID 82145095

IUPAC2-(5,6-dimethyl-2-propan-2-ylbenzimidazol-1-yl)ethanamine
SMILESCc1cc2nc(C(C)C)n(CCN)c2cc1C
InChIInChI=1S/C14H21N3/c1-9(2)14-16-12-7-10(3)11(4)8-13(12)17(14)6-5-15/h7-9H,5-6,15H2,1-4H3
InChIKeyQFNPTRMVMBMZAN-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.74
Rot. Bonds3

About 2-(5,6-dimethyl-2-propan-2-ylbenzimidazol-1-yl)ethanamine

2-(5,6-dimethyl-2-propan-2-ylbenzimidazol-1-yl)ethanamine (PubChem CID 82145095) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(5,6-dimethyl-2-propan-2-ylbenzimidazol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(5,6-dimethyl-2-propan-2-ylbenzimidazol-1-yl)ethanamine
PubChem CID82145095
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2-(5,6-dimethyl-2-propan-2-ylbenzimidazol-1-yl)ethanamine
SMILESCc1cc2nc(C(C)C)n(CCN)c2cc1C
InChIInChI=1S/C14H21N3/c1-9(2)14-16-12-7-10(3)11(4)8-13(12)17(14)6-5-15/h7-9H,5-6,15H2,1-4H3
InChIKeyQFNPTRMVMBMZAN-UHFFFAOYSA-N
XLogP2.74
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5,6-dimethyl-2-propan-2-ylbenzimidazol-1-yl)propanenitrile
CID 82145106
2-[2-(4-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]ethanamine
CID 82145276
1-(5,6-dimethyl-1-prop-2-enylbenzimidazol-2-yl)ethanamine
CID 82024893
3-(2-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propan-1-amine
CID 82145837
2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]ethanamine
CID 82145244
3-(5,6-difluoro-2-propan-2-ylbenzimidazol-1-yl)propan-1-ol
CID 82149646
4-(2-aminoethyl)-6,7-dimethyl-3-methyliminoquinoxaline-2-carbaldehyde
CID 131978086
1-ethyl-5,6-difluoro-2-propan-2-ylbenzimidazole
CID 147971744
2-propan-2-yl-1-propylbenzimidazol-5-amine
CID 43830820
2-[(5,6-dimethyl-2-propan-2-ylbenzimidazol-1-yl)methyl]benzoic acid
CID 94747847
3-[2-(1-aminoethyl)-5,6-dimethylbenzimidazol-1-yl]propane-1,2-diol
CID 82024907
10-(2-aminoethyl)-7,8-dimethyl-3-propylbenzo[g]pteridine-2,4-dione
CID 90306732

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-2-propan-2-ylbenzimidazol-1-yl)ethanamine?
The IUPAC name of 2-(5,6-dimethyl-2-propan-2-ylbenzimidazol-1-yl)ethanamine (CID 82145095) is 2-(5,6-dimethyl-2-propan-2-ylbenzimidazol-1-yl)ethanamine.
What is the SMILES notation for 2-(5,6-dimethyl-2-propan-2-ylbenzimidazol-1-yl)ethanamine?
The canonical SMILES for 2-(5,6-dimethyl-2-propan-2-ylbenzimidazol-1-yl)ethanamine is Cc1cc2nc(C(C)C)n(CCN)c2cc1C.
What is the InChIKey of 2-(5,6-dimethyl-2-propan-2-ylbenzimidazol-1-yl)ethanamine?
The InChIKey is QFNPTRMVMBMZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-9(2)14-16-12-7-10(3)11(4)8-13(12)17(14)6-5-15/h7-9H,5-6,15H2,1-4H3.
What are the key properties of 2-(5,6-dimethyl-2-propan-2-ylbenzimidazol-1-yl)ethanamine?
2-(5,6-dimethyl-2-propan-2-ylbenzimidazol-1-yl)ethanamine has a molecular weight of 231.34 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-2-propan-2-ylbenzimidazol-1-yl)ethanamine is sourced from PubChem (CID 82145095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).