1-N,4-dimethyl-1-N-(4-methyl-1-phenylimidazol-2-yl)pentane-1,3-diamine

C17H26N4 — CID 106553574

IUPAC1-N,4-dimethyl-1-N-(4-methyl-1-phenylimidazol-2-yl)pentane-1,3-diamine
SMILESCc1cn(-c2ccccc2)c(N(C)CCC(N)C(C)C)n1
InChIInChI=1S/C17H26N4/c1-13(2)16(18)10-11-20(4)17-19-14(3)12-21(17)15-8-6-5-7-9-15/h5-9,12-13,16H,10-11,18H2,1-4H3
InChIKeyQCEPXQBJCZBDBH-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.99
Rot. Bonds6

About 1-N,4-dimethyl-1-N-(4-methyl-1-phenylimidazol-2-yl)pentane-1,3-diamine

1-N,4-dimethyl-1-N-(4-methyl-1-phenylimidazol-2-yl)pentane-1,3-diamine (PubChem CID 106553574) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-N,4-dimethyl-1-N-(4-methyl-1-phenylimidazol-2-yl)pentane-1,3-diamine.

Molecular Properties

Compound Name1-N,4-dimethyl-1-N-(4-methyl-1-phenylimidazol-2-yl)pentane-1,3-diamine
PubChem CID106553574
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name1-N,4-dimethyl-1-N-(4-methyl-1-phenylimidazol-2-yl)pentane-1,3-diamine
SMILESCc1cn(-c2ccccc2)c(N(C)CCC(N)C(C)C)n1
InChIInChI=1S/C17H26N4/c1-13(2)16(18)10-11-20(4)17-19-14(3)12-21(17)15-8-6-5-7-9-15/h5-9,12-13,16H,10-11,18H2,1-4H3
InChIKeyQCEPXQBJCZBDBH-UHFFFAOYSA-N
XLogP2.99
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-dimethyl-1-N-(4-methyl-1-phenylimidazol-2-yl)pentane-1,3-diamine?
The IUPAC name of 1-N,4-dimethyl-1-N-(4-methyl-1-phenylimidazol-2-yl)pentane-1,3-diamine (CID 106553574) is 1-N,4-dimethyl-1-N-(4-methyl-1-phenylimidazol-2-yl)pentane-1,3-diamine.
What is the SMILES notation for 1-N,4-dimethyl-1-N-(4-methyl-1-phenylimidazol-2-yl)pentane-1,3-diamine?
The canonical SMILES for 1-N,4-dimethyl-1-N-(4-methyl-1-phenylimidazol-2-yl)pentane-1,3-diamine is Cc1cn(-c2ccccc2)c(N(C)CCC(N)C(C)C)n1.
What is the InChIKey of 1-N,4-dimethyl-1-N-(4-methyl-1-phenylimidazol-2-yl)pentane-1,3-diamine?
The InChIKey is QCEPXQBJCZBDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-13(2)16(18)10-11-20(4)17-19-14(3)12-21(17)15-8-6-5-7-9-15/h5-9,12-13,16H,10-11,18H2,1-4H3.
What are the key properties of 1-N,4-dimethyl-1-N-(4-methyl-1-phenylimidazol-2-yl)pentane-1,3-diamine?
1-N,4-dimethyl-1-N-(4-methyl-1-phenylimidazol-2-yl)pentane-1,3-diamine has a molecular weight of 286.42 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-dimethyl-1-N-(4-methyl-1-phenylimidazol-2-yl)pentane-1,3-diamine is sourced from PubChem (CID 106553574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).