1-(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine

C17H27N5 — CID 71929113

IUPAC1-(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
SMILESCn1ccnc1CNCC1CCCn2cc(C(C)(C)C)nc21
InChIInChI=1S/C17H27N5/c1-17(2,3)14-12-22-8-5-6-13(16(22)20-14)10-18-11-15-19-7-9-21(15)4/h7,9,12-13,18H,5-6,8,10-11H2,1-4H3
InChIKeyHVQXSXQCURRRTQ-UHFFFAOYSA-N
MW301.44 g/mol
LogP2.58
Rot. Bonds4

About 1-(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine

1-(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine (PubChem CID 71929113) has the molecular formula C17H27N5 and a molecular weight of 301.44 g/mol. Its IUPAC name is 1-(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
PubChem CID71929113
Molecular FormulaC17H27N5
Molecular Weight301.44 g/mol
Exact Mass301.23
IUPAC Name1-(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
SMILESCn1ccnc1CNCC1CCCn2cc(C(C)(C)C)nc21
InChIInChI=1S/C17H27N5/c1-17(2,3)14-12-22-8-5-6-13(16(22)20-14)10-18-11-15-19-7-9-21(15)4/h7,9,12-13,18H,5-6,8,10-11H2,1-4H3
InChIKeyHVQXSXQCURRRTQ-UHFFFAOYSA-N
XLogP2.58
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine (CID 71929113) is 1-(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine is Cn1ccnc1CNCC1CCCn2cc(C(C)(C)C)nc21.
What is the InChIKey of 1-(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The InChIKey is HVQXSXQCURRRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5/c1-17(2,3)14-12-22-8-5-6-13(16(22)20-14)10-18-11-15-19-7-9-21(15)4/h7,9,12-13,18H,5-6,8,10-11H2,1-4H3.
What are the key properties of 1-(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine?
1-(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine has a molecular weight of 301.44 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine is sourced from PubChem (CID 71929113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).