3-ethyl-3-N,3-N-dimethyl-1-(1-methylbenzimidazol-2-yl)pentane-2,3-diamine

C17H28N4 — CID 79757194

IUPAC3-ethyl-3-N,3-N-dimethyl-1-(1-methylbenzimidazol-2-yl)pentane-2,3-diamine
SMILESCCC(CC)(C(N)Cc1nc2ccccc2n1C)N(C)C
InChIInChI=1S/C17H28N4/c1-6-17(7-2,20(3)4)15(18)12-16-19-13-10-8-9-11-14(13)21(16)5/h8-11,15H,6-7,12,18H2,1-5H3
InChIKeyKLHXWOZKCJRSKJ-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.56
Rot. Bonds6

About 3-ethyl-3-N,3-N-dimethyl-1-(1-methylbenzimidazol-2-yl)pentane-2,3-diamine

3-ethyl-3-N,3-N-dimethyl-1-(1-methylbenzimidazol-2-yl)pentane-2,3-diamine (PubChem CID 79757194) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-ethyl-3-N,3-N-dimethyl-1-(1-methylbenzimidazol-2-yl)pentane-2,3-diamine.

Molecular Properties

Compound Name3-ethyl-3-N,3-N-dimethyl-1-(1-methylbenzimidazol-2-yl)pentane-2,3-diamine
PubChem CID79757194
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name3-ethyl-3-N,3-N-dimethyl-1-(1-methylbenzimidazol-2-yl)pentane-2,3-diamine
SMILESCCC(CC)(C(N)Cc1nc2ccccc2n1C)N(C)C
InChIInChI=1S/C17H28N4/c1-6-17(7-2,20(3)4)15(18)12-16-19-13-10-8-9-11-14(13)21(16)5/h8-11,15H,6-7,12,18H2,1-5H3
InChIKeyKLHXWOZKCJRSKJ-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-3-N,3-N-dimethyl-1-(1-methylbenzimidazol-2-yl)pentane-2,3-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-N,3-N-dimethyl-1-(1-methylbenzimidazol-2-yl)pentane-2,3-diamine?
The IUPAC name of 3-ethyl-3-N,3-N-dimethyl-1-(1-methylbenzimidazol-2-yl)pentane-2,3-diamine (CID 79757194) is 3-ethyl-3-N,3-N-dimethyl-1-(1-methylbenzimidazol-2-yl)pentane-2,3-diamine.
What is the SMILES notation for 3-ethyl-3-N,3-N-dimethyl-1-(1-methylbenzimidazol-2-yl)pentane-2,3-diamine?
The canonical SMILES for 3-ethyl-3-N,3-N-dimethyl-1-(1-methylbenzimidazol-2-yl)pentane-2,3-diamine is CCC(CC)(C(N)Cc1nc2ccccc2n1C)N(C)C.
What is the InChIKey of 3-ethyl-3-N,3-N-dimethyl-1-(1-methylbenzimidazol-2-yl)pentane-2,3-diamine?
The InChIKey is KLHXWOZKCJRSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-6-17(7-2,20(3)4)15(18)12-16-19-13-10-8-9-11-14(13)21(16)5/h8-11,15H,6-7,12,18H2,1-5H3.
What are the key properties of 3-ethyl-3-N,3-N-dimethyl-1-(1-methylbenzimidazol-2-yl)pentane-2,3-diamine?
3-ethyl-3-N,3-N-dimethyl-1-(1-methylbenzimidazol-2-yl)pentane-2,3-diamine has a molecular weight of 288.44 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-N,3-N-dimethyl-1-(1-methylbenzimidazol-2-yl)pentane-2,3-diamine is sourced from PubChem (CID 79757194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).