1-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]propan-1-amine

C17H28N4 — CID 82334045

IUPAC1-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]propan-1-amine
SMILESCCC(N)c1nc2cc(C(C)C)ccc2n1CCN(C)C
InChIInChI=1S/C17H28N4/c1-6-14(18)17-19-15-11-13(12(2)3)7-8-16(15)21(17)10-9-20(4)5/h7-8,11-12,14H,6,9-10,18H2,1-5H3
InChIKeyNJBNSSVNDKTSFN-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.13
Rot. Bonds6

About 1-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]propan-1-amine

1-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]propan-1-amine (PubChem CID 82334045) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name1-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]propan-1-amine
PubChem CID82334045
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name1-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]propan-1-amine
SMILESCCC(N)c1nc2cc(C(C)C)ccc2n1CCN(C)C
InChIInChI=1S/C17H28N4/c1-6-14(18)17-19-15-11-13(12(2)3)7-8-16(15)21(17)10-9-20(4)5/h7-8,11-12,14H,6,9-10,18H2,1-5H3
InChIKeyNJBNSSVNDKTSFN-UHFFFAOYSA-N
XLogP3.13
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]ethanamine
CID 82333992
2-[2-(1-chloroethyl)-5-propan-2-ylbenzimidazol-1-yl]-N,N-dimethylethanamine
CID 82334199
2-[2-(aminomethyl)-5-propan-2-ylbenzimidazol-1-yl]-N,N-dimethylethanamine
CID 82333974
2-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]acetic acid
CID 82333901
1-(5-ethyl-1-propylbenzimidazol-2-yl)propan-1-amine
CID 82333614
2-[2-(1-chloroethyl)-5-ethylbenzimidazol-1-yl]-N,N-dimethylethanamine
CID 82333823
1-[1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-5-yl]ethanone
CID 94743219
2-[2-(1-aminopropyl)-5-chlorobenzimidazol-1-yl]ethanol
CID 82332591
2-[1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-5-yl]acetic acid
CID 82142232
1-[1-[2-(dimethylamino)ethyl]-2-pentan-3-ylbenzimidazol-5-yl]ethanone
CID 82142245
1-[2-[methyl(propan-2-yl)amino]ethyl]-2-propan-2-ylbenzimidazol-5-amine
CID 62640082
1-(1-propylbenzimidazol-2-yl)propan-1-amine
CID 43470294

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]propan-1-amine?
The IUPAC name of 1-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]propan-1-amine (CID 82334045) is 1-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]propan-1-amine.
What is the SMILES notation for 1-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]propan-1-amine?
The canonical SMILES for 1-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]propan-1-amine is CCC(N)c1nc2cc(C(C)C)ccc2n1CCN(C)C.
What is the InChIKey of 1-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]propan-1-amine?
The InChIKey is NJBNSSVNDKTSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-6-14(18)17-19-15-11-13(12(2)3)7-8-16(15)21(17)10-9-20(4)5/h7-8,11-12,14H,6,9-10,18H2,1-5H3.
What are the key properties of 1-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]propan-1-amine?
1-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]propan-1-amine has a molecular weight of 288.44 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]propan-1-amine is sourced from PubChem (CID 82334045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).