1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-4-amine

C14H22N4 — CID 82067478

IUPAC1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-4-amine
SMILESCC(C)c1nc2c(N)cccc2n1CCN(C)C
InChIInChI=1S/C14H22N4/c1-10(2)14-16-13-11(15)6-5-7-12(13)18(14)9-8-17(3)4/h5-7,10H,8-9,15H2,1-4H3
InChIKeyUYXKHNGLCKCYSV-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.30
Rot. Bonds4

About 1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-4-amine

1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-4-amine (PubChem CID 82067478) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-4-amine.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-4-amine
PubChem CID82067478
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-4-amine
SMILESCC(C)c1nc2c(N)cccc2n1CCN(C)C
InChIInChI=1S/C14H22N4/c1-10(2)14-16-13-11(15)6-5-7-12(13)18(14)9-8-17(3)4/h5-7,10H,8-9,15H2,1-4H3
InChIKeyUYXKHNGLCKCYSV-UHFFFAOYSA-N
XLogP2.30
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]benzimidazol-4-amine
CID 93215632
2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)acetohydrazide
CID 82067406
2-pentan-3-yl-1-propylbenzimidazol-4-amine
CID 82067555
propyl 2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)acetate
CID 82067422
2-cyclopropyl-1-[3-(dimethylamino)propyl]benzimidazol-4-amine
CID 82067653
3-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)propan-1-ol
CID 82067574
2-amino-1-[2-(dimethylamino)ethyl]benzimidazole-4-carbonitrile
CID 113444999
1-[1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-5-yl]ethanone
CID 94743219
1-[2-[methyl(propan-2-yl)amino]ethyl]-2-propan-2-ylbenzimidazol-5-amine
CID 62640082
2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)acetic acid
CID 82067548
1-butyl-2-(2-methylpropyl)benzimidazol-4-amine
CID 82067688
2-(aminomethyl)-1-propan-2-ylbenzimidazol-4-amine
CID 84777995

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-4-amine?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-4-amine (CID 82067478) is 1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-4-amine.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-4-amine?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-4-amine is CC(C)c1nc2c(N)cccc2n1CCN(C)C.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-4-amine?
The InChIKey is UYXKHNGLCKCYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-10(2)14-16-13-11(15)6-5-7-12(13)18(14)9-8-17(3)4/h5-7,10H,8-9,15H2,1-4H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-4-amine?
1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-4-amine has a molecular weight of 246.36 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-4-amine is sourced from PubChem (CID 82067478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).